5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine

C17H29N5O — CID 72939687

IUPAC5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC1(N2CCOCC2)CCCCCC1
InChIInChI=1S/C17H29N5O/c1-14-12-19-16(18)21-15(14)20-13-17(6-4-2-3-5-7-17)22-8-10-23-11-9-22/h12H,2-11,13H2,1H3,(H3,18,19,20,21)
InChIKeyQRYHDGFUPCILHI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.20
Rot. Bonds4

About 5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine

5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine (PubChem CID 72939687) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine
PubChem CID72939687
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC1(N2CCOCC2)CCCCCC1
InChIInChI=1S/C17H29N5O/c1-14-12-19-16(18)21-15(14)20-13-17(6-4-2-3-5-7-17)22-8-10-23-11-9-22/h12H,2-11,13H2,1H3,(H3,18,19,20,21)
InChIKeyQRYHDGFUPCILHI-UHFFFAOYSA-N
XLogP2.20
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80843021
[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968719
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridin-4-amine
CID 131909403
4-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]pyrimidin-2-amine
CID 72915197
6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine
CID 157444199
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133382376
2,3,5-trimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70707171
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine
CID 114113423
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 72860191
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80815623

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine (CID 72939687) is 5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine is Cc1cnc(N)nc1NCC1(N2CCOCC2)CCCCCC1.
What is the InChIKey of 5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QRYHDGFUPCILHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-14-12-19-16(18)21-15(14)20-13-17(6-4-2-3-5-7-17)22-8-10-23-11-9-22/h12H,2-11,13H2,1H3,(H3,18,19,20,21).
What are the key properties of 5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine?
5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 319.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72939687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).