N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

C15H24N4O — CID 117101139

IUPACN-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1nc(NCC2CCCCC2)nc2c1CNCC2
InChIInChI=1S/C15H24N4O/c1-20-14-12-10-16-8-7-13(12)18-15(19-14)17-9-11-5-3-2-4-6-11/h11,16H,2-10H2,1H3,(H,17,18,19)
InChIKeyOCCYBQYTJIMJDF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.12
Rot. Bonds4

About N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (PubChem CID 117101139) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
PubChem CID117101139
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1nc(NCC2CCCCC2)nc2c1CNCC2
InChIInChI=1S/C15H24N4O/c1-20-14-12-10-16-8-7-13(12)18-15(19-14)17-9-11-5-3-2-4-6-11/h11,16H,2-10H2,1H3,(H,17,18,19)
InChIKeyOCCYBQYTJIMJDF-UHFFFAOYSA-N
XLogP2.12
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101131
N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 105475959
4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100947
N-(cyclobutylmethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145300
N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 105494802
4-methoxy-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101052
4-methoxy-2-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115025312
4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115040229
N-(2-fluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101099
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
4-chloro-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101118
2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetic acid
CID 83891041

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (CID 117101139) is N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is COc1nc(NCC2CCCCC2)nc2c1CNCC2.
What is the InChIKey of N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is OCCYBQYTJIMJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-20-14-12-10-16-8-7-13(12)18-15(19-14)17-9-11-5-3-2-4-6-11/h11,16H,2-10H2,1H3,(H,17,18,19).
What are the key properties of N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 276.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 117101139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).