2-N,4-N-dicyclopentylpyrimidine-2,4-diamine

C14H22N4 — CID 112884114

IUPAC2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
SMILESc1cc(NC2CCCC2)nc(NC2CCCC2)n1
InChIInChI=1S/C14H22N4/c1-2-6-11(5-1)16-13-9-10-15-14(18-13)17-12-7-3-4-8-12/h9-12H,1-8H2,(H2,15,16,17,18)
InChIKeyXDJXHTIJVWUZGY-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.19
Rot. Bonds4

About 2-N,4-N-dicyclopentylpyrimidine-2,4-diamine

2-N,4-N-dicyclopentylpyrimidine-2,4-diamine (PubChem CID 112884114) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-N,4-N-dicyclopentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
PubChem CID112884114
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
SMILESc1cc(NC2CCCC2)nc(NC2CCCC2)n1
InChIInChI=1S/C14H22N4/c1-2-6-11(5-1)16-13-9-10-15-14(18-13)17-12-7-3-4-8-12/h9-12H,1-8H2,(H2,15,16,17,18)
InChIKeyXDJXHTIJVWUZGY-UHFFFAOYSA-N
XLogP3.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882659
4-chloro-N-cyclohexylpyrimidin-2-amine
CID 87190061
4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 112884209
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112884929
4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112884937
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736
4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112899904
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112899999

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dicyclopentylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dicyclopentylpyrimidine-2,4-diamine (CID 112884114) is 2-N,4-N-dicyclopentylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dicyclopentylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dicyclopentylpyrimidine-2,4-diamine is c1cc(NC2CCCC2)nc(NC2CCCC2)n1.
What is the InChIKey of 2-N,4-N-dicyclopentylpyrimidine-2,4-diamine?
The InChIKey is XDJXHTIJVWUZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-6-11(5-1)16-13-9-10-15-14(18-13)17-12-7-3-4-8-12/h9-12H,1-8H2,(H2,15,16,17,18).
What are the key properties of 2-N,4-N-dicyclopentylpyrimidine-2,4-diamine?
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine has a molecular weight of 246.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dicyclopentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112884114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).