N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine

C16H19ClN4 — CID 117211524

IUPACN'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(-c2ccccc2Cl)nc1C1CCC1
InChIInChI=1S/C16H19ClN4/c17-13-7-2-1-6-12(13)16-20-10-14(19-9-8-18)15(21-16)11-4-3-5-11/h1-2,6-7,10-11,19H,3-5,8-9,18H2
InChIKeyOVDZALCKRGYAOL-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.44
Rot. Bonds5

About N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine

N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117211524) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117211524
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(-c2ccccc2Cl)nc1C1CCC1
InChIInChI=1S/C16H19ClN4/c17-13-7-2-1-6-12(13)16-20-10-14(19-9-8-18)15(21-16)11-4-3-5-11/h1-2,6-7,10-11,19H,3-5,8-9,18H2
InChIKeyOVDZALCKRGYAOL-UHFFFAOYSA-N
XLogP3.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
CID 117211859
N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine
CID 117211459
N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211827
N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211188
N'-[4-methyl-2-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212333
N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211831
N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine
CID 117211607
N'-(2-cyclobutylphenyl)ethane-1,2-diamine
CID 114605625
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 66303166
2-(2-chlorophenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385197
N'-(2-cyclobutylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212308

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine (CID 117211524) is N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine is NCCNc1cnc(-c2ccccc2Cl)nc1C1CCC1.
What is the InChIKey of N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is OVDZALCKRGYAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-13-7-2-1-6-12(13)16-20-10-14(19-9-8-18)15(21-16)11-4-3-5-11/h1-2,6-7,10-11,19H,3-5,8-9,18H2.
What are the key properties of N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 302.81 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117211524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).