4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine

C16H21N5 — CID 46225980

IUPAC4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(Nc2ccccn2)n1
InChIInChI=1S/C16H21N5/c1-12-11-15(19-13-7-3-2-4-8-13)21-16(18-12)20-14-9-5-6-10-17-14/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,17,18,19,20,21)
InChIKeyWYRZQVOEUIGJJB-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.67
Rot. Bonds4

About 4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine

4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine (PubChem CID 46225980) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine
PubChem CID46225980
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(Nc2ccccn2)n1
InChIInChI=1S/C16H21N5/c1-12-11-15(19-13-7-3-2-4-8-13)21-16(18-12)20-14-9-5-6-10-17-14/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,17,18,19,20,21)
InChIKeyWYRZQVOEUIGJJB-UHFFFAOYSA-N
XLogP3.67
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine (CID 46225980) is 4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine is Cc1cc(NC2CCCCC2)nc(Nc2ccccn2)n1.
What is the InChIKey of 4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine?
The InChIKey is WYRZQVOEUIGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-11-15(19-13-7-3-2-4-8-13)21-16(18-12)20-14-9-5-6-10-17-14/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine?
4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-methyl-2-N-pyridin-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 46225980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).