3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol

C45H52N10O4 — CID 159591396

IUPAC3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3ncc(CNC4CC4)cc3n2)c1.Oc1cccc(-c2nc(N3CCOCC3)c3ncc(CNC4CCCCC4)cc3n2)c1
InChIInChI=1S/C24H29N5O2.C21H23N5O2/c30-20-8-4-5-18(14-20)23-27-21-13-17(15-25-19-6-2-1-3-7-19)16-26-22(21)24(28-23)29-9-11-31-12-10-29;27-17-3-1-2-15(11-17)20-24-18-10-14(12-22-16-4-5-16)13-23-19(18)21(25-20)26-6-8-28-9-7-26/h4-5,8,13-14,16,19,25,30H,1-3,6-7,9-12,15H2;1-3,10-11,13,16,22,27H,4-9,12H2
InChIKeyMKHCVNKRZGDEJJ-UHFFFAOYSA-N
MW796.98 g/mol
LogP6.14
Rot. Bonds10

About 3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol

3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 159591396) has the molecular formula C45H52N10O4 and a molecular weight of 796.98 g/mol. Its IUPAC name is 3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
PubChem CID159591396
Molecular FormulaC45H52N10O4
Molecular Weight796.98 g/mol
Exact Mass796.42
IUPAC Name3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3ncc(CNC4CC4)cc3n2)c1.Oc1cccc(-c2nc(N3CCOCC3)c3ncc(CNC4CCCCC4)cc3n2)c1
InChIInChI=1S/C24H29N5O2.C21H23N5O2/c30-20-8-4-5-18(14-20)23-27-21-13-17(15-25-19-6-2-1-3-7-19)16-26-22(21)24(28-23)29-9-11-31-12-10-29;27-17-3-1-2-15(11-17)20-24-18-10-14(12-22-16-4-5-16)13-23-19(18)21(25-20)26-6-8-28-9-7-26/h4-5,8,13-14,16,19,25,30H,1-3,6-7,9-12,15H2;1-3,10-11,13,16,22,27H,4-9,12H2
InChIKeyMKHCVNKRZGDEJJ-UHFFFAOYSA-N
XLogP6.14
TPSA166.80 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500796.98
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol with MolForge

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Related Compounds

3-[7-(aminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994380
N-methyl-1-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 118243086
3-[7-[[4-(fluoromethyl)triazol-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 90038220
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
3-[7-(2-hydroxy-1-hydroxysulfanylethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994336
3-[7-(methoxyiminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 123269409
2-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)acetaldehyde
CID 118243094
3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 173099726
2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 118243122
3-[9-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol
CID 25073083
3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol
CID 46225280
3-[7-(1-cyclohexylpiperidin-4-yl)-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
CID 42633367

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol (CID 159591396) is 3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol is Oc1cccc(-c2nc(N3CCOCC3)c3ncc(CNC4CC4)cc3n2)c1.Oc1cccc(-c2nc(N3CCOCC3)c3ncc(CNC4CCCCC4)cc3n2)c1.
What is the InChIKey of 3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is MKHCVNKRZGDEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2.C21H23N5O2/c30-20-8-4-5-18(14-20)23-27-21-13-17(15-25-19-6-2-1-3-7-19)16-26-22(21)24(28-23)29-9-11-31-12-10-29;27-17-3-1-2-15(11-17)20-24-18-10-14(12-22-16-4-5-16)13-23-19(18)21(25-20)26-6-8-28-9-7-26/h4-5,8,13-14,16,19,25,30H,1-3,6-7,9-12,15H2;1-3,10-11,13,16,22,27H,4-9,12H2.
What are the key properties of 3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 796.98 g/mol, XLogP of 6.14, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 159591396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).