4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine

C17H21N3 — CID 82487360

IUPAC4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine
SMILESCc1ncnc(-c2ccc(C3CCCCC3)cc2)c1N
InChIInChI=1S/C17H21N3/c1-12-16(18)17(20-11-19-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13H,2-6,18H2,1H3
InChIKeyDWWQOUHUGATVDR-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.08
Rot. Bonds2

About 4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine

4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine (PubChem CID 82487360) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine
PubChem CID82487360
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine
SMILESCc1ncnc(-c2ccc(C3CCCCC3)cc2)c1N
InChIInChI=1S/C17H21N3/c1-12-16(18)17(20-11-19-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13H,2-6,18H2,1H3
InChIKeyDWWQOUHUGATVDR-UHFFFAOYSA-N
XLogP4.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclohexylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82120366
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-amine
CID 82485984
5-(4-cyclohexylphenyl)pyridin-2-amine
CID 62491509
4-(4-cyclohexylphenyl)-2-methylaniline
CID 63424369
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
2-(4-cyclohexylphenyl)-4-methylaniline
CID 63424368
2-cyclopentyl-4-(4-cyclopropylphenyl)-1,3-thiazol-5-amine
CID 79972611
4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
CID 82477480
4-[4-(4-cyclohexylphenyl)phenyl]cyclohexan-1-amine
CID 139515276
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine?
The IUPAC name of 4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine (CID 82487360) is 4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine?
The canonical SMILES for 4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine is Cc1ncnc(-c2ccc(C3CCCCC3)cc2)c1N.
What is the InChIKey of 4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine?
The InChIKey is DWWQOUHUGATVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-16(18)17(20-11-19-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13H,2-6,18H2,1H3.
What are the key properties of 4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine?
4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine has a molecular weight of 267.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-6-methylpyrimidin-5-amine is sourced from PubChem (CID 82487360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).