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

C12H17N3 — CID 103844256

IUPACN-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCC2=CCCC2)n1
InChIInChI=1S/C12H17N3/c1-10-6-8-13-12(15-10)14-9-7-11-4-2-3-5-11/h4,6,8H,2-3,5,7,9H2,1H3,(H,13,14,15)
InChIKeyOLQPYEJFTJJBIH-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.70
Rot. Bonds4

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

N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine (PubChem CID 103844256) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
PubChem CID103844256
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCC2=CCCC2)n1
InChIInChI=1S/C12H17N3/c1-10-6-8-13-12(15-10)14-9-7-11-4-2-3-5-11/h4,6,8H,2-3,5,7,9H2,1H3,(H,13,14,15)
InChIKeyOLQPYEJFTJJBIH-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-methylpyrimidin-4-amine
CID 103844199
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112885543
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-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112885606
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112885536
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112885370
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106177621
4-N-(3-bromo-4-methylphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-2,4-diamine
CID 112885613
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885560
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine
CID 103844172
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112885608
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109299371

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine (CID 103844256) is N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NCCC2=CCCC2)n1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine?
The InChIKey is OLQPYEJFTJJBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-6-8-13-12(15-10)14-9-7-11-4-2-3-5-11/h4,6,8H,2-3,5,7,9H2,1H3,(H,13,14,15).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine?
N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-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]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 103844256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).