N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine

C16H19ClN4 — CID 117211859

IUPACN'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
SMILESNCCCNc1cnc(C2CC2)nc1-c1ccccc1Cl
InChIInChI=1S/C16H19ClN4/c17-13-5-2-1-4-12(13)15-14(19-9-3-8-18)10-20-16(21-15)11-6-7-11/h1-2,4-5,10-11,19H,3,6-9,18H2
InChIKeySJCMGENWRFYMMA-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.44
Rot. Bonds6

About N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine

N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine (PubChem CID 117211859) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
PubChem CID117211859
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC NameN'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
SMILESNCCCNc1cnc(C2CC2)nc1-c1ccccc1Cl
InChIInChI=1S/C16H19ClN4/c17-13-5-2-1-4-12(13)15-14(19-9-3-8-18)10-20-16(21-15)11-6-7-11/h1-2,4-5,10-11,19H,3,6-9,18H2
InChIKeySJCMGENWRFYMMA-UHFFFAOYSA-N
XLogP3.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824
N'-[2-cyclopentyl-4-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211827
N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211831
N'-(2-cyclobutyl-4-cyclopropylpyrimidin-5-yl)propane-1,3-diamine
CID 117211459
N'-(2-cyclopropyl-4-ethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212128
N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine
CID 117211607
N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211524
N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211188
N'-[5-(2-chlorophenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 117224166
N'-[2-cyclobutyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211923
N'-(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212057
N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine
CID 117211581

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine (CID 117211859) is N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine is NCCCNc1cnc(C2CC2)nc1-c1ccccc1Cl.
What is the InChIKey of N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine?
The InChIKey is SJCMGENWRFYMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-13-5-2-1-4-12(13)15-14(19-9-3-8-18)10-20-16(21-15)11-6-7-11/h1-2,4-5,10-11,19H,3,6-9,18H2.
What are the key properties of N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine?
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine has a molecular weight of 302.81 g/mol, XLogP of 3.44, 6 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-cyclopropylpyrimidin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 117211859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).