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

C17H30N4O — CID 82458313

IUPAC4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)COc1nc(CC(C)C)nc(NC2CCCC2)c1N
InChIInChI=1S/C17H30N4O/c1-11(2)9-14-20-16(19-13-7-5-6-8-13)15(18)17(21-14)22-10-12(3)4/h11-13H,5-10,18H2,1-4H3,(H,19,20,21)
InChIKeyCVYOKFHDNUBUQS-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.65
Rot. Bonds7

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

4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82458313) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82458313
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)COc1nc(CC(C)C)nc(NC2CCCC2)c1N
InChIInChI=1S/C17H30N4O/c1-11(2)9-14-20-16(19-13-7-5-6-8-13)15(18)17(21-14)22-10-12(3)4/h11-13H,5-10,18H2,1-4H3,(H,19,20,21)
InChIKeyCVYOKFHDNUBUQS-UHFFFAOYSA-N
XLogP3.65
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458201
6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459498
4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455531
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459511
4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455194
4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455507
4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456288
4-N-[2-(dimethylamino)ethyl]-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458314
6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459485
6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458321
6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine
CID 82455770

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82458313) is 4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine is CC(C)COc1nc(CC(C)C)nc(NC2CCCC2)c1N.
What is the InChIKey of 4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is CVYOKFHDNUBUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-11(2)9-14-20-16(19-13-7-5-6-8-13)15(18)17(21-14)22-10-12(3)4/h11-13H,5-10,18H2,1-4H3,(H,19,20,21).
What are the key properties of 4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 306.45 g/mol, XLogP of 3.65, 7 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)-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).