N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine

C13H19N3 — CID 103844282

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCCC2=CCCC2)nc(C)n1
InChIInChI=1S/C13H19N3/c1-10-9-13(16-11(2)15-10)14-8-7-12-5-3-4-6-12/h5,9H,3-4,6-8H2,1-2H3,(H,14,15,16)
InChIKeyLWACWZGAPUQGPY-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.01
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine

N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 103844282) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID103844282
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCCC2=CCCC2)nc(C)n1
InChIInChI=1S/C13H19N3/c1-10-9-13(16-11(2)15-10)14-8-7-12-5-3-4-6-12/h5,9H,3-4,6-8H2,1-2H3,(H,14,15,16)
InChIKeyLWACWZGAPUQGPY-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.01
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

2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 106173577
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867644
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136849718
1-[4-[4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112911054
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869368
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911101
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112911109
4-N-(2-chlorophenyl)-6-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869401
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869351
N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine
CID 106177646
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869429

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine (CID 103844282) is N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCCC2=CCCC2)nc(C)n1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is LWACWZGAPUQGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-9-13(16-11(2)15-10)14-8-7-12-5-3-4-6-12/h5,9H,3-4,6-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine?
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 217.32 g/mol, XLogP of 3.01, 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]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 103844282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).