2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine

C9H11N3 — CID 59073954

IUPAC2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1=CCc2nc(C)nc(N)c21
InChIInChI=1S/C9H11N3/c1-5-3-4-7-8(5)9(10)12-6(2)11-7/h3H,4H2,1-2H3,(H2,10,11,12)
InChIKeyBDWKQGYZWWTJFU-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.33
Rot. Bonds

About 2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine

2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 59073954) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine
PubChem CID59073954
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1=CCc2nc(C)nc(N)c21
InChIInChI=1S/C9H11N3/c1-5-3-4-7-8(5)9(10)12-6(2)11-7/h3H,4H2,1-2H3,(H2,10,11,12)
InChIKeyBDWKQGYZWWTJFU-UHFFFAOYSA-N
XLogP1.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Benzyl-6-methyl-pyrimidine-2,4-diamine
CID 516689
4,5-Dimethyl-6-styrylpyrimidin-2-amine
CID 49862523
6-Methyl-5-propylpyrimidine-2,4-diamine
CID 44356854
2,6-Diethyl-5-methylpyrimidin-4-amine
CID 248110
4,6-Dimethyl-5-propyl-2-pyrimidinamine
CID 45064186
4-Ethyl-2,5,6-trimethylpyrimidine
CID 14199147
Pyrimidine, 2,4-diamino-5-isobutyl-6-methyl-
CID 23423603
2-Methyl-6-phenylpyrimidin-4-amine
CID 256705
4-Pyrimidinamine, 5-ethyl-2,6-dipropyl-
CID 12285747
6-Methyl-2-phenylpyrimidin-4-amine
CID 12798511
1-[6-cyclopropyl-2-methyl-5-[(E)-prop-1-enyl]pyrimidin-4-yl]hexa-1,2,3,4,5-pentaenyl-fluorophosphane
CID 21138108
2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 71193083

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine (CID 59073954) is 2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine is CC1=CCc2nc(C)nc(N)c21.
What is the InChIKey of 2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is BDWKQGYZWWTJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-5-3-4-7-8(5)9(10)12-6(2)11-7/h3H,4H2,1-2H3,(H2,10,11,12).
What are the key properties of 2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine?
2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 161.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 59073954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).