3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide

C14H15ClN4O — CID 102664162

IUPAC3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide
SMILESCc1nccc(CNCc2ccc(C(N)=O)cc2Cl)n1
InChIInChI=1S/C14H15ClN4O/c1-9-18-5-4-12(19-9)8-17-7-11-3-2-10(14(16)20)6-13(11)15/h2-6,17H,7-8H2,1H3,(H2,16,20)
InChIKeyPBCNRSDMUVHRAQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.83
Rot. Bonds5

About 3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide

3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide (PubChem CID 102664162) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide
PubChem CID102664162
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide
SMILESCc1nccc(CNCc2ccc(C(N)=O)cc2Cl)n1
InChIInChI=1S/C14H15ClN4O/c1-9-18-5-4-12(19-9)8-17-7-11-3-2-10(14(16)20)6-13(11)15/h2-6,17H,7-8H2,1H3,(H2,16,20)
InChIKeyPBCNRSDMUVHRAQ-UHFFFAOYSA-N
XLogP1.83
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-2-pyrimidinyl)methyl)amino)methyl)-1-piperidinyl)methanone
CID 11741361
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
Pyrimidine-4-carboxamide, 65
CID 44520946
Bisanilinopyrimidine, 9b
CID 70702149
(3-Chloro-4-methylphenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10764513
2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 2819595
2-[4-(3-Chlorobenzoyl)piperazin-1-yl]pyrimidine
CID 2933647
Pyrimidine-4-carboxamide, 63
CID 44520945
Pyrimidine-4-carboxamide, 64
CID 44520959
Pyrimidine-4-carboxamide, 66
CID 44520960
(3-chloro-4-(18F)fluorophenyl)-[4-fluoro-4-[[(5-methylpyrimidin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
CID 60194087
8-(3-Aminopropyl)-6-[2-Chloro-4-(3-Methyl-2-Oxopyrazin-1(2h)-Yl)phenyl]-2-(Methylamino)pyrido[2,3-D]pyrimidin-7(8h)-One
CID 119057464

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide (CID 102664162) is 3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide is Cc1nccc(CNCc2ccc(C(N)=O)cc2Cl)n1.
What is the InChIKey of 3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide?
The InChIKey is PBCNRSDMUVHRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9-18-5-4-12(19-9)8-17-7-11-3-2-10(14(16)20)6-13(11)15/h2-6,17H,7-8H2,1H3,(H2,16,20).
What are the key properties of 3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide?
3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide has a molecular weight of 290.75 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 102664162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).