6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine

C10H12ClN3 — CID 103705061

IUPAC6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine
SMILESC#CCC(C)Nc1cc(Cl)nc(C)n1
InChIInChI=1S/C10H12ClN3/c1-4-5-7(2)12-10-6-9(11)13-8(3)14-10/h1,6-7H,5H2,2-3H3,(H,12,13,14)
InChIKeyPGBHPMBCESQLCZ-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.26
Rot. Bonds3

About 6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine

6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine (PubChem CID 103705061) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine
PubChem CID103705061
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine
SMILESC#CCC(C)Nc1cc(Cl)nc(C)n1
InChIInChI=1S/C10H12ClN3/c1-4-5-7(2)12-10-6-9(11)13-8(3)14-10/h1,6-7H,5H2,2-3H3,(H,12,13,14)
InChIKeyPGBHPMBCESQLCZ-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine
CID 103703612
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 121204763
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
2-ethyl-4-(pent-4-yn-2-ylamino)-1H-pyrimidin-6-one
CID 136977106
2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
CID 115661799
2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol
CID 90302031
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine
CID 103705067
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine
CID 80838338

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine (CID 103705061) is 6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine is C#CCC(C)Nc1cc(Cl)nc(C)n1.
What is the InChIKey of 6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine?
The InChIKey is PGBHPMBCESQLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-4-5-7(2)12-10-6-9(11)13-8(3)14-10/h1,6-7H,5H2,2-3H3,(H,12,13,14).
What are the key properties of 6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine?
6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine has a molecular weight of 209.68 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103705061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).