4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

C13H22N4O — CID 82455194

IUPAC4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCC(C)COc1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C13H22N4O/c1-9(2)7-18-13-11(14)12(15-8-16-13)17-10-5-3-4-6-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyDIEFOBYFEPVTFI-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.45
Rot. Bonds5

About 4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine

4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82455194) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82455194
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCC(C)COc1ncnc(NC2CCCC2)c1N
InChIInChI=1S/C13H22N4O/c1-9(2)7-18-13-11(14)12(15-8-16-13)17-10-5-3-4-6-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyDIEFOBYFEPVTFI-UHFFFAOYSA-N
XLogP2.45
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455531
4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458313
4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455507
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456288
6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141056
4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine
CID 19152582
4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135849
4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22540380
4-N-[(4-fluorophenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455219
methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate
CID 22544845

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82455194) is 4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is CC(C)COc1ncnc(NC2CCCC2)c1N.
What is the InChIKey of 4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is DIEFOBYFEPVTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)7-18-13-11(14)12(15-8-16-13)17-10-5-3-4-6-10/h8-10H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).