4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine

C15H19N5O — CID 117102472

IUPAC4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc2c1CCNCC2
InChIInChI=1S/C15H19N5O/c1-21-13-5-3-2-4-12(13)18-14-10-6-8-17-9-7-11(10)19-15(16)20-14/h2-5,17H,6-9H2,1H3,(H3,16,18,19,20)
InChIKeyBLYHNIAYYVWYEZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.50
Rot. Bonds3

About 4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine

4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine (PubChem CID 117102472) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
PubChem CID117102472
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc2c1CCNCC2
InChIInChI=1S/C15H19N5O/c1-21-13-5-3-2-4-12(13)18-14-10-6-8-17-9-7-11(10)19-15(16)20-14/h2-5,17H,6-9H2,1H3,(H3,16,18,19,20)
InChIKeyBLYHNIAYYVWYEZ-UHFFFAOYSA-N
XLogP1.50
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine with MolForge

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Related Compounds

2-methoxy-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102322
4-N-(2-bromophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 117102470
2-methoxy-N-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102067
4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 117101919
4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 56743134
4-[4-(2-methoxyphenyl)piperidin-1-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine;dihydrochloride
CID 154886070
2-(2-methoxyanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965781
N-(2-methoxyphenyl)-3-methylquinoxalin-2-amine
CID 23821079
4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80769228
N-(2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 720949
4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 72842101
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine (CID 117102472) is 4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine is COc1ccccc1Nc1nc(N)nc2c1CCNCC2.
What is the InChIKey of 4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine?
The InChIKey is BLYHNIAYYVWYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-21-13-5-3-2-4-12(13)18-14-10-6-8-17-9-7-11(10)19-15(16)20-14/h2-5,17H,6-9H2,1H3,(H3,16,18,19,20).
What are the key properties of 4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine?
4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine has a molecular weight of 285.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine is sourced from PubChem (CID 117102472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).