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

C14H24N4 — CID 46226008

IUPAC4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NC(C)C)n1
InChIInChI=1S/C14H24N4/c1-10(2)15-14-16-11(3)9-13(18-14)17-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyJMAFWQVDGZHOCB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.35
Rot. Bonds4

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

4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 46226008) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID46226008
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(NC(C)C)n1
InChIInChI=1S/C14H24N4/c1-10(2)15-14-16-11(3)9-13(18-14)17-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyJMAFWQVDGZHOCB-UHFFFAOYSA-N
XLogP3.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 46226008) is 4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine is Cc1cc(NC2CCCCC2)nc(NC(C)C)n1.
What is the InChIKey of 4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is JMAFWQVDGZHOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)15-14-16-11(3)9-13(18-14)17-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 46226008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).