6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine

C13H18N4 — CID 6475962

IUPAC6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESCC/C=C/CC1=C(C)Cc2c(N)nc(N)nc21
InChIInChI=1S/C13H18N4/c1-3-4-5-6-9-8(2)7-10-11(9)16-13(15)17-12(10)14/h4-5H,3,6-7H2,1-2H3,(H4,14,15,16,17)/b5-4+
InChIKeyIKXNLSUKGANGRV-SNAWJCMRSA-N
MW230.31 g/mol
LogP2.33
Rot. Bonds3

About 6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine

6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 6475962) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine
PubChem CID6475962
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESCC/C=C/CC1=C(C)Cc2c(N)nc(N)nc21
InChIInChI=1S/C13H18N4/c1-3-4-5-6-9-8(2)7-10-11(9)16-13(15)17-12(10)14/h4-5H,3,6-7H2,1-2H3,(H4,14,15,16,17)/b5-4+
InChIKeyIKXNLSUKGANGRV-SNAWJCMRSA-N
XLogP2.33
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
2,4-Pyrimidinediamine, 6-methyl-5-(3-phenylpropyl)-
CID 308637
6-Ethyl-5-(3-phenylprop-1-yn-1-yl)pyrimidine-2,4-diamine
CID 25138227
6-Ethyl-5-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 13926967
5-Benzyl-6-methyl-pyrimidine-2,4-diamine
CID 516689
1-Phenethyl-3-(4,5,6-trimethylpyrimidin-2-yl)guanidine
CID 3013273
6-Ethyl-5-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 44531189
5-(4-Butylphenyl)-6-ethylpyrimidine-2,4-diamine
CID 44532041
5-Benzyl-4,6-dimethylpyrimidin-2-amine
CID 647495

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine (CID 6475962) is 6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine is CC/C=C/CC1=C(C)Cc2c(N)nc(N)nc21.
What is the InChIKey of 6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is IKXNLSUKGANGRV-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-4-5-6-9-8(2)7-10-11(9)16-13(15)17-12(10)14/h4-5H,3,6-7H2,1-2H3,(H4,14,15,16,17)/b5-4+.
What are the key properties of 6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine?
6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[(E)-pent-2-enyl]-5H-cyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 6475962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).