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

C16H19ClN4 — CID 117211824

IUPACN'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(C2CCC2)nc1-c1ccccc1Cl
InChIInChI=1S/C16H19ClN4/c17-13-7-2-1-6-12(13)15-14(19-9-8-18)10-20-16(21-15)11-4-3-5-11/h1-2,6-7,10-11,19H,3-5,8-9,18H2
InChIKeyNBWLPZQOHSGFTE-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.44
Rot. Bonds5

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

N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117211824) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117211824
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(C2CCC2)nc1-c1ccccc1Cl
InChIInChI=1S/C16H19ClN4/c17-13-7-2-1-6-12(13)15-14(19-9-8-18)10-20-16(21-15)11-4-3-5-11/h1-2,6-7,10-11,19H,3-5,8-9,18H2
InChIKeyNBWLPZQOHSGFTE-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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Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine (CID 117211824) is N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine is NCCNc1cnc(C2CCC2)nc1-c1ccccc1Cl.
What is the InChIKey of N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is NBWLPZQOHSGFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-13-7-2-1-6-12(13)15-14(19-9-8-18)10-20-16(21-15)11-4-3-5-11/h1-2,6-7,10-11,19H,3-5,8-9,18H2.
What are the key properties of N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine?
N'-[4-(2-chlorophenyl)-2-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'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117211824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).