1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C11H11ClN4 — CID 103444180

IUPAC1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1ncccc1Cl
InChIInChI=1S/C11H11ClN4/c1-13-10(8-5-14-7-15-6-8)11-9(12)3-2-4-16-11/h2-7,10,13H,1H3
InChIKeyJGCLYZMWPNEUIQ-UHFFFAOYSA-N
MW234.69 g/mol
LogP1.83
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 103444180) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID103444180
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1ncccc1Cl
InChIInChI=1S/C11H11ClN4/c1-13-10(8-5-14-7-15-6-8)11-9(12)3-2-4-16-11/h2-7,10,13H,1H3
InChIKeyJGCLYZMWPNEUIQ-UHFFFAOYSA-N
XLogP1.83
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 103444275
1-(3-chloro-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 103444122
1-(3-chloro-2-pyridinyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 103444068
(3-chloro-2-pyridinyl)-pyrimidin-5-ylmethanamine
CID 103443848
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 103444108
1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 103444188
1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103444277
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 103444253
1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827336
1-(3-chloro-2-pyridinyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 103444331
1-(3-chloro-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 103444187
3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine
CID 103444339

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 103444180) is 1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is JGCLYZMWPNEUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-13-10(8-5-14-7-15-6-8)11-9(12)3-2-4-16-11/h2-7,10,13H,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 234.69 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 103444180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).