4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine

C24H24N6 — CID 67815515

IUPAC4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine
SMILESCc1cc(C2CC2)nc(Nc2ccccc2)n1.c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C14H15N3.C10H9N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12;1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h2-6,9,11H,7-8H2,1H3,(H,15,16,17);1-8H,(H,11,12,13)
InChIKeyIYJJIZWBJDDFMV-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.63
Rot. Bonds5

About 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine

4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine (PubChem CID 67815515) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine
PubChem CID67815515
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine
SMILESCc1cc(C2CC2)nc(Nc2ccccc2)n1.c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C14H15N3.C10H9N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12;1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h2-6,9,11H,7-8H2,1H3,(H,15,16,17);1-8H,(H,11,12,13)
InChIKeyIYJJIZWBJDDFMV-UHFFFAOYSA-N
XLogP5.63
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;methane
CID 157311449
4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874092
4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874089
4-cycloprop-2-yn-1-yl-6-methyl-N-phenylpyrimidin-2-amine
CID 142647855
4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine
CID 104609397
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;(E)-non-2-enoic acid
CID 138505615
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol
CID 169441439
2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol
CID 162345468
2-cyclopropyl-6-methyl-N-phenylpyrimidin-4-amine
CID 163350504
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine (CID 67815515) is 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine is Cc1cc(C2CC2)nc(Nc2ccccc2)n1.c1ccc(Nc2ncccn2)cc1.
What is the InChIKey of 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine?
The InChIKey is IYJJIZWBJDDFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3.C10H9N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12;1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h2-6,9,11H,7-8H2,1H3,(H,15,16,17);1-8H,(H,11,12,13).
What are the key properties of 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine?
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine has a molecular weight of 396.50 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine is sourced from PubChem (CID 67815515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).