(1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine

C12H13ClN4 — CID 103431993

IUPAC(1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2ccc(Cl)cn2)ncc1[C@H](C)N
InChIInChI=1S/C12H13ClN4/c1-7(14)10-6-16-12(17-8(10)2)11-4-3-9(13)5-15-11/h3-7H,14H2,1-2H3/t7-/m0/s1
InChIKeyBPYVTLGRRPFXGB-ZETCQYMHSA-N
MW248.72 g/mol
LogP2.52
Rot. Bonds2

About (1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine

(1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 103431993) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is (1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID103431993
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name(1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2ccc(Cl)cn2)ncc1[C@H](C)N
InChIInChI=1S/C12H13ClN4/c1-7(14)10-6-16-12(17-8(10)2)11-4-3-9(13)5-15-11/h3-7H,14H2,1-2H3/t7-/m0/s1
InChIKeyBPYVTLGRRPFXGB-ZETCQYMHSA-N
XLogP2.52
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of (1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine (CID 103431993) is (1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine is Cc1nc(-c2ccc(Cl)cn2)ncc1[C@H](C)N.
What is the InChIKey of (1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is BPYVTLGRRPFXGB-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-7(14)10-6-16-12(17-8(10)2)11-4-3-9(13)5-15-11/h3-7H,14H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine?
(1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 248.72 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103431993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).