N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine

C15H18ClN3 — CID 62749359

IUPACN-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN3/c1-11(2)9-17-10-12-7-8-18-15(19-12)13-5-3-4-6-14(13)16/h3-8,11,17H,9-10H2,1-2H3
InChIKeyUJDSVCXKKOOXJZ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.54
Rot. Bonds5

About N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62749359) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62749359
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN3/c1-11(2)9-17-10-12-7-8-18-15(19-12)13-5-3-4-6-14(13)16/h3-8,11,17H,9-10H2,1-2H3
InChIKeyUJDSVCXKKOOXJZ-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine (CID 62749359) is N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccnc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UJDSVCXKKOOXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(2)9-17-10-12-7-8-18-15(19-12)13-5-3-4-6-14(13)16/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62749359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).