N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine

C17H22N4 — CID 117211527

IUPACN'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2ncc(NCCN)c(C3CCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-12-5-7-14(8-6-12)17-20-11-15(19-10-9-18)16(21-17)13-3-2-4-13/h5-8,11,13,19H,2-4,9-10,18H2,1H3
InChIKeyJVWVKPXTUVGOBK-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.09
Rot. Bonds5

About N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine

N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117211527) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117211527
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2ncc(NCCN)c(C3CCC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-12-5-7-14(8-6-12)17-20-11-15(19-10-9-18)16(21-17)13-3-2-4-13/h5-8,11,13,19H,2-4,9-10,18H2,1H3
InChIKeyJVWVKPXTUVGOBK-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117211527) is N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine is Cc1ccc(-c2ncc(NCCN)c(C3CCC3)n2)cc1.
What is the InChIKey of N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is JVWVKPXTUVGOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-5-7-14(8-6-12)17-20-11-15(19-10-9-18)16(21-17)13-3-2-4-13/h5-8,11,13,19H,2-4,9-10,18H2,1H3.
What are the key properties of N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine?
N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-cyclobutyl-2-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117211527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).