3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide

C15H17ClN4O — CID 106917420

IUPAC3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17ClN4O/c1-17-14(21)8-9-20(2)13-10-12(16)18-15(19-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,21)
InChIKeyKHODSFVGJVWWLG-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.37
Rot. Bonds5

About 3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide

3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 106917420) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID106917420
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17ClN4O/c1-17-14(21)8-9-20(2)13-10-12(16)18-15(19-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,21)
InChIKeyKHODSFVGJVWWLG-UHFFFAOYSA-N
XLogP2.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 115914818
N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 115914819
6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559630
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106917431
6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
CID 796090
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
N-methyl-3-[methyl-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 70765387
3-[(6-hydrazinyl-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106918756
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]butanenitrile
CID 115914801
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid
CID 106916046
3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918446

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide (CID 106917420) is 3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is KHODSFVGJVWWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-17-14(21)8-9-20(2)13-10-12(16)18-15(19-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,21).
What are the key properties of 3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 304.78 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106917420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).