6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine

C13H20N4 — CID 112854680

IUPAC6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
SMILESc1nc(NC2CCCCC2)cc(NC2CC2)n1
InChIInChI=1S/C13H20N4/c1-2-4-10(5-3-1)16-12-8-13(15-9-14-12)17-11-6-7-11/h8-11H,1-7H2,(H2,14,15,16,17)
InChIKeyPFRKRVDSENNENG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.80
Rot. Bonds4

About 6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine

6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine (PubChem CID 112854680) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
PubChem CID112854680
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
SMILESc1nc(NC2CCCCC2)cc(NC2CC2)n1
InChIInChI=1S/C13H20N4/c1-2-4-10(5-3-1)16-12-8-13(15-9-14-12)17-11-6-7-11/h8-11H,1-7H2,(H2,14,15,16,17)
InChIKeyPFRKRVDSENNENG-UHFFFAOYSA-N
XLogP2.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
CID 112863930
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
N-cyclopentyl-6-methylsulfanylpyrimidin-4-amine
CID 106972534
N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112856201
4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
CID 112856315

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine (CID 112854680) is 6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine is c1nc(NC2CCCCC2)cc(NC2CC2)n1.
What is the InChIKey of 6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine?
The InChIKey is PFRKRVDSENNENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-4-10(5-3-1)16-12-8-13(15-9-14-12)17-11-6-7-11/h8-11H,1-7H2,(H2,14,15,16,17).
What are the key properties of 6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine?
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine is sourced from PubChem (CID 112854680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).