4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine

C14H11N3 — CID 142647855

IUPAC4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine
SMILESCc1cc(C2C#C2)nc(Nc2ccccc2)n1
InChIInChI=1S/C14H11N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,1H3,(H,15,16,17)
InChIKeyVTWMHFCUVLOKEP-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.63
Rot. Bonds3

About 4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine

4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine (PubChem CID 142647855) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine
PubChem CID142647855
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine
SMILESCc1cc(C2C#C2)nc(Nc2ccccc2)n1
InChIInChI=1S/C14H11N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,1H3,(H,15,16,17)
InChIKeyVTWMHFCUVLOKEP-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.63
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

4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;methane
CID 157311449
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine
CID 67815515
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
4-methyl-6-(5-methylthiophen-2-yl)-N-phenylpyrimidin-2-amine
CID 14347206
4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 20585928
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874089
4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874092
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861

Frequently Asked Questions

What is the IUPAC name of 4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine (CID 142647855) is 4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine is Cc1cc(C2C#C2)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine?
The InChIKey is VTWMHFCUVLOKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,1H3,(H,15,16,17).
What are the key properties of 4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine?
4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine has a molecular weight of 221.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 142647855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).