6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine

C34H41ClN6 — CID 161461653

IUPAC6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2c(Cl)nc(C)nc2NC2CCCC2)cc1.Cc1ccc(-c2cnc(C)nc2NC2CCCC2)cc1
InChIInChI=1S/C17H20ClN3.C17H21N3/c1-11-7-9-13(10-8-11)15-16(18)19-12(2)20-17(15)21-14-5-3-4-6-14;1-12-7-9-14(10-8-12)16-11-18-13(2)19-17(16)20-15-5-3-4-6-15/h7-10,14H,3-6H2,1-2H3,(H,19,20,21);7-11,15H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyWBWXQNQMTZZDNN-UHFFFAOYSA-N
MW569.20 g/mol
LogP8.88
Rot. Bonds6

About 6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine

6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 161461653) has the molecular formula C34H41ClN6 and a molecular weight of 569.20 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine
PubChem CID161461653
Molecular FormulaC34H41ClN6
Molecular Weight569.20 g/mol
Exact Mass568.31
IUPAC Name6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2c(Cl)nc(C)nc2NC2CCCC2)cc1.Cc1ccc(-c2cnc(C)nc2NC2CCCC2)cc1
InChIInChI=1S/C17H20ClN3.C17H21N3/c1-11-7-9-13(10-8-11)15-16(18)19-12(2)20-17(15)21-14-5-3-4-6-14;1-12-7-9-14(10-8-12)16-11-18-13(2)19-17(16)20-15-5-3-4-6-15/h7-10,14H,3-6H2,1-2H3,(H,19,20,21);7-11,15H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyWBWXQNQMTZZDNN-UHFFFAOYSA-N
XLogP8.88
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.20
LogP ≤ 58.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-aminophenyl)-N-cyclopentyl-2-methylpyrimidin-4-amine;6-chloro-N-cyclopentyl-2-methyl-5-(4-nitrophenyl)pyrimidin-4-amine
CID 160793666
6-chloro-N-cyclopentyl-2-methyl-5-phenylpyrimidin-4-amine
CID 71428128
N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine
CID 59405085
4-[4-chloro-6-(cyclopentylamino)-2-methylpyrimidin-5-yl]benzamide
CID 59405066
6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 63736474
6-chloro-N-cyclopentyl-2-methyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine;ethane
CID 143373172
N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 155572636
N-cyclopentyl-5-[4-(diethylaminodiazenyl)phenyl]-2-methylpyrimidin-4-amine;N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine
CID 158042772
cyclohexanamine;N-cyclohexyl-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-methyl-4-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]pyrimidine
CID 157297188
5-[2,4-bis(trifluoromethyl)phenyl]-N-cyclopentyl-2-methylpyrimidin-4-amine
CID 59405039
4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine
CID 155116906
4-chloro-6-(cyclooctylamino)-2-methylpyrimidine-5-carbaldehyde
CID 80731884

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine (CID 161461653) is 6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine is Cc1ccc(-c2c(Cl)nc(C)nc2NC2CCCC2)cc1.Cc1ccc(-c2cnc(C)nc2NC2CCCC2)cc1.
What is the InChIKey of 6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is WBWXQNQMTZZDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3.C17H21N3/c1-11-7-9-13(10-8-11)15-16(18)19-12(2)20-17(15)21-14-5-3-4-6-14;1-12-7-9-14(10-8-12)16-11-18-13(2)19-17(16)20-15-5-3-4-6-15/h7-10,14H,3-6H2,1-2H3,(H,19,20,21);7-11,15H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine?
6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 569.20 g/mol, XLogP of 8.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine;N-cyclopentyl-2-methyl-5-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 161461653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).