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

C15H17N3O2 — CID 59722522

IUPACN-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2ncnc3c2CCC3)c1
InChIInChI=1S/C15H17N3O2/c1-19-10-6-7-14(20-2)13(8-10)18-15-11-4-3-5-12(11)16-9-17-15/h6-9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyCQKGDSWPEDXFIN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.73
Rot. Bonds4

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

N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 59722522) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID59722522
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2ncnc3c2CCC3)c1
InChIInChI=1S/C15H17N3O2/c1-19-10-6-7-14(20-2)13(8-10)18-15-11-4-3-5-12(11)16-9-17-15/h6-9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyCQKGDSWPEDXFIN-UHFFFAOYSA-N
XLogP2.73
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184758
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80769342
4-N,6-N-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494751
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800843
N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 57422571
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650
5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline
CID 103201955
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142786

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 59722522) is N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is COc1ccc(OC)c(Nc2ncnc3c2CCC3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is CQKGDSWPEDXFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-10-6-7-14(20-2)13(8-10)18-15-11-4-3-5-12(11)16-9-17-15/h6-9H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 59722522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).