2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine

C24H29N5O — CID 141343849

IUPAC2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine
SMILESCN1CCC(Oc2cnc(-c3cccc(CN4C=CC=C(C5CC5)N4)c3)nc2)CC1
InChIInChI=1S/C24H29N5O/c1-28-12-9-21(10-13-28)30-22-15-25-24(26-16-22)20-5-2-4-18(14-20)17-29-11-3-6-23(27-29)19-7-8-19/h2-6,11,14-16,19,21,27H,7-10,12-13,17H2,1H3
InChIKeyUBSXIZRMECKRKK-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.74
Rot. Bonds6

About 2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine

2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine (PubChem CID 141343849) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine
PubChem CID141343849
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine
SMILESCN1CCC(Oc2cnc(-c3cccc(CN4C=CC=C(C5CC5)N4)c3)nc2)CC1
InChIInChI=1S/C24H29N5O/c1-28-12-9-21(10-13-28)30-22-15-25-24(26-16-22)20-5-2-4-18(14-20)17-29-11-3-6-23(27-29)19-7-8-19/h2-6,11,14-16,19,21,27H,7-10,12-13,17H2,1H3
InChIKeyUBSXIZRMECKRKK-UHFFFAOYSA-N
XLogP3.74
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine with MolForge

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Related Compounds

6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 42641498
5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 58485975
5-[3-[5-(4-methylcyclohexyl)oxypyrimidin-2-yl]phenyl]pentanoic acid
CID 157210001
2-[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]benzoyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 122657857
[3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine
CID 105483157
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
6-(3,5-difluorophenyl)-2-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 59484948
4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine
CID 82245812
3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
CID 25171648
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
2-bromo-5-(1-methylpiperidin-4-yl)oxypyridine
CID 129202847
5-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 71565292

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine (CID 141343849) is 2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine is CN1CCC(Oc2cnc(-c3cccc(CN4C=CC=C(C5CC5)N4)c3)nc2)CC1.
What is the InChIKey of 2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine?
The InChIKey is UBSXIZRMECKRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-28-12-9-21(10-13-28)30-22-15-25-24(26-16-22)20-5-2-4-18(14-20)17-29-11-3-6-23(27-29)19-7-8-19/h2-6,11,14-16,19,21,27H,7-10,12-13,17H2,1H3.
What are the key properties of 2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine?
2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine has a molecular weight of 403.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-cyclopropyl-1H-pyridazin-2-yl)methyl]phenyl]-5-(1-methylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 141343849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).