4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine

C16H18N4 — CID 70671742

IUPAC4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine
SMILESCc1nc(N)nc(C2=CCCCC2)c1-c1cccnc1
InChIInChI=1S/C16H18N4/c1-11-14(13-8-5-9-18-10-13)15(20-16(17)19-11)12-6-3-2-4-7-12/h5-6,8-10H,2-4,7H2,1H3,(H2,17,19,20)
InChIKeyIFXFKVXGGZYSQD-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.39
Rot. Bonds2

About 4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine

4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine (PubChem CID 70671742) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine
PubChem CID70671742
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine
SMILESCc1nc(N)nc(C2=CCCCC2)c1-c1cccnc1
InChIInChI=1S/C16H18N4/c1-11-14(13-8-5-9-18-10-13)15(20-16(17)19-11)12-6-3-2-4-7-12/h5-6,8-10H,2-4,7H2,1H3,(H2,17,19,20)
InChIKeyIFXFKVXGGZYSQD-UHFFFAOYSA-N
XLogP3.39
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 70671721
4-methyl-6-(3-methylsulfonylphenyl)-5-pyridin-3-ylpyrimidin-2-amine
CID 70671365
ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 70671638
2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829358
4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-amine
CID 14045777
N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750889
3-methyl-2-pyridin-3-ylaniline
CID 22482419
3-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)pyridine
CID 10942960
[[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-cyclopentylpiperazin-1-yl)methylidene]cyanamide
CID 88883426
6-(cyclohexen-1-yl)-3-ethyl-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one;methanol
CID 156743150
[[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide
CID 88883428
6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine
CID 70671621

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine (CID 70671742) is 4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine is Cc1nc(N)nc(C2=CCCCC2)c1-c1cccnc1.
What is the InChIKey of 4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is IFXFKVXGGZYSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-14(13-8-5-9-18-10-13)15(20-16(17)19-11)12-6-3-2-4-7-12/h5-6,8-10H,2-4,7H2,1H3,(H2,17,19,20).
What are the key properties of 4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine?
4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 266.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 70671742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).