N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine

C12H17N3 — CID 103844199

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCCC2=CCCC2)n1
InChIInChI=1S/C12H17N3/c1-10-13-9-7-12(15-10)14-8-6-11-4-2-3-5-11/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,14,15)
InChIKeyBLRJSYMOEUPVSG-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine

N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 103844199) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID103844199
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCCC2=CCCC2)n1
InChIInChI=1S/C12H17N3/c1-10-13-9-7-12(15-10)14-8-6-11-4-2-3-5-11/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,14,15)
InChIKeyBLRJSYMOEUPVSG-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
CID 103844256
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine
CID 112884620
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112885451
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112885543
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112885370
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112885458
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869351
2-N-(4-chloro-2-methylphenyl)-4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-2,4-diamine
CID 112885469
2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 106173577
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112885542
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885560

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine (CID 103844199) is N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine is Cc1nccc(NCCC2=CCCC2)n1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is BLRJSYMOEUPVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-13-9-7-12(15-10)14-8-6-11-4-2-3-5-11/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,14,15).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine?
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 203.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 103844199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).