1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine

C10H16N4 — CID 130655450

IUPAC1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine
SMILESNC(CNc1ncccn1)C1CCC1
InChIInChI=1S/C10H16N4/c11-9(8-3-1-4-8)7-14-10-12-5-2-6-13-10/h2,5-6,8-9H,1,3-4,7,11H2,(H,12,13,14)
InChIKeyWUQHUNDHOIALOO-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.02
Rot. Bonds4

About 1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine

1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine (PubChem CID 130655450) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine
PubChem CID130655450
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine
SMILESNC(CNc1ncccn1)C1CCC1
InChIInChI=1S/C10H16N4/c11-9(8-3-1-4-8)7-14-10-12-5-2-6-13-10/h2,5-6,8-9H,1,3-4,7,11H2,(H,12,13,14)
InChIKeyWUQHUNDHOIALOO-UHFFFAOYSA-N
XLogP1.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 116648669
N-(2-cyclopropylpropyl)pyrimidin-2-amine
CID 115591492
N-(2-chloro-2-cyclopropylethyl)pyrimidin-2-amine
CID 65033600
N-cyclobutylpyrimidin-2-amine
CID 45080152
1-cyclopropyl-N'-pyridazin-3-ylethane-1,2-diamine
CID 63759108
N-(1-cyclobutylethyl)pyrimidin-2-amine
CID 115766758
N-(cyclopentylmethyl)pyrimidin-2-amine
CID 43317116
N-(dicyclopentylmethyl)pyrimidin-2-amine
CID 133306321
1-cyclopropyl-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
CID 114787209
N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 62663057
2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine
CID 165485023
1-cyclopropyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
CID 113282278

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The IUPAC name of 1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine (CID 130655450) is 1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The canonical SMILES for 1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine is NC(CNc1ncccn1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The InChIKey is WUQHUNDHOIALOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-9(8-3-1-4-8)7-14-10-12-5-2-6-13-10/h2,5-6,8-9H,1,3-4,7,11H2,(H,12,13,14).
What are the key properties of 1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine?
1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine has a molecular weight of 192.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N'-pyrimidin-2-ylethane-1,2-diamine is sourced from PubChem (CID 130655450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).