N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H19N3O2 — CID 63184758

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3c2CCC3)c(OC)c1
InChIInChI=1S/C16H19N3O2/c1-20-12-7-6-11(15(8-12)21-2)9-17-16-13-4-3-5-14(13)18-10-19-16/h6-8,10H,3-5,9H2,1-2H3,(H,17,18,19)
InChIKeySFDGPGZJIXDYCG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.59
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 63184758) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID63184758
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3c2CCC3)c(OC)c1
InChIInChI=1S/C16H19N3O2/c1-20-12-7-6-11(15(8-12)21-2)9-17-16-13-4-3-5-14(13)18-10-19-16/h6-8,10H,3-5,9H2,1-2H3,(H,17,18,19)
InChIKeySFDGPGZJIXDYCG-UHFFFAOYSA-N
XLogP2.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 59722522
N-[2-(2,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56754446
N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833504
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
CID 162376872
6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid
CID 163382909
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 171091121
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511
6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane
CID 163382908
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
N-[(3-methyl-4-pyridinyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114700770
6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 171705218

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 63184758) is N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is COc1ccc(CNc2ncnc3c2CCC3)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is SFDGPGZJIXDYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-12-7-6-11(15(8-12)21-2)9-17-16-13-4-3-5-14(13)18-10-19-16/h6-8,10H,3-5,9H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 63184758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).