N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine

C12H13ClN4 — CID 103445312

IUPACN-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ncccc2Cl)nc1
InChIInChI=1S/C12H13ClN4/c1-2-14-6-9-7-16-12(17-8-9)11-10(13)4-3-5-15-11/h3-5,7-8,14H,2,6H2,1H3
InChIKeyCINMBEYIUUEWAA-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.30
Rot. Bonds4

About N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine

N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 103445312) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID103445312
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC NameN-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2ncccc2Cl)nc1
InChIInChI=1S/C12H13ClN4/c1-2-14-6-9-7-16-12(17-8-9)11-10(13)4-3-5-15-11/h3-5,7-8,14H,2,6H2,1H3
InChIKeyCINMBEYIUUEWAA-UHFFFAOYSA-N
XLogP2.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 103445314
4-(3-chloro-2-pyridinyl)-N-ethylbenzamide
CID 59673494
N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55114017
N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 62757497
N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 62756954
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62757130
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103445265
2-(3-chloro-2-pyridinyl)-5-iodo-N-methylpyrimidin-4-amine
CID 103445166
N-[[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]methyl]ethanamine
CID 65197584
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 103442627

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine (CID 103445312) is N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(-c2ncccc2Cl)nc1.
What is the InChIKey of N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is CINMBEYIUUEWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-2-14-6-9-7-16-12(17-8-9)11-10(13)4-3-5-15-11/h3-5,7-8,14H,2,6H2,1H3.
What are the key properties of N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine?
N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 248.72 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 103445312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).