4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine

C17H22N4 — CID 175747416

IUPAC4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccccc2)nc1NC1CCCCC1
InChIInChI=1S/C17H22N4/c1-13-12-18-17(20-15-10-6-3-7-11-15)21-16(13)19-14-8-4-2-5-9-14/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H2,18,19,20,21)
InChIKeyTYPDFCKHLQCXTM-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.27
Rot. Bonds4

About 4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine

4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 175747416) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID175747416
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccccc2)nc1NC1CCCCC1
InChIInChI=1S/C17H22N4/c1-13-12-18-17(20-15-10-6-3-7-11-15)21-16(13)19-14-8-4-2-5-9-14/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H2,18,19,20,21)
InChIKeyTYPDFCKHLQCXTM-UHFFFAOYSA-N
XLogP4.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 175747416) is 4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine is Cc1cnc(Nc2ccccc2)nc1NC1CCCCC1.
What is the InChIKey of 4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is TYPDFCKHLQCXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-12-18-17(20-15-10-6-3-7-11-15)21-16(13)19-14-8-4-2-5-9-14/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 175747416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).