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

C20H28N4 — CID 112856249

IUPAC4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)N(Cc1ccccc1)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C20H28N4/c1-16(2)24(14-17-9-5-3-6-10-17)20-13-19(21-15-22-20)23-18-11-7-4-8-12-18/h3,5-6,9-10,13,15-16,18H,4,7-8,11-12,14H2,1-2H3,(H,21,22,23)
InChIKeyAQJRLZVFSTWIRA-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.64
Rot. Bonds6

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

4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112856249) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112856249
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)N(Cc1ccccc1)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C20H28N4/c1-16(2)24(14-17-9-5-3-6-10-17)20-13-19(21-15-22-20)23-18-11-7-4-8-12-18/h3,5-6,9-10,13,15-16,18H,4,7-8,11-12,14H2,1-2H3,(H,21,22,23)
InChIKeyAQJRLZVFSTWIRA-UHFFFAOYSA-N
XLogP4.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112856249) is 4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CC(C)N(Cc1ccccc1)c1cc(NC2CCCCC2)ncn1.
What is the InChIKey of 4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is AQJRLZVFSTWIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-16(2)24(14-17-9-5-3-6-10-17)20-13-19(21-15-22-20)23-18-11-7-4-8-12-18/h3,5-6,9-10,13,15-16,18H,4,7-8,11-12,14H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 324.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112856249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).