1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine

C13H22N4 — CID 106738262

IUPAC1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1cc(C)nc(NC(CN)C2CCCC2)n1
InChIInChI=1S/C13H22N4/c1-9-7-10(2)16-13(15-9)17-12(8-14)11-5-3-4-6-11/h7,11-12H,3-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyKTCRRNHAZSVUDC-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.02
Rot. Bonds4

About 1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine

1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 106738262) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID106738262
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1cc(C)nc(NC(CN)C2CCCC2)n1
InChIInChI=1S/C13H22N4/c1-9-7-10(2)16-13(15-9)17-12(8-14)11-5-3-4-6-11/h7,11-12H,3-6,8,14H2,1-2H3,(H,15,16,17)
InChIKeyKTCRRNHAZSVUDC-UHFFFAOYSA-N
XLogP2.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115309530
1-cyclopropyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 65189145
1-cyclohexyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 113283795
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 119591556
1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 115309390
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride
CID 119591555
N-(5-bromopyrimidin-2-yl)-1-cyclopentylethane-1,2-diamine
CID 106738307
1-cyclohexyl-N-(6-methylpyridazin-3-yl)ethane-1,2-diamine
CID 113283802
2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine
CID 63732356
N-(dicyclopropylmethyl)-4,6-dimethylpyrimidin-2-amine
CID 60732520
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
CID 104755547
1-cyclohexyl-N-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 115309552

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine (CID 106738262) is 1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine is Cc1cc(C)nc(NC(CN)C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is KTCRRNHAZSVUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-7-10(2)16-13(15-9)17-12(8-14)11-5-3-4-6-11/h7,11-12H,3-6,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine?
1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106738262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).