(2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide

C11H13ClN4O — CID 100761673

IUPAC(2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide
SMILESCCN(CC)C(=O)[C@@H](C#N)c1cc(Cl)ncn1
InChIInChI=1S/C11H13ClN4O/c1-3-16(4-2)11(17)8(6-13)9-5-10(12)15-7-14-9/h5,7-8H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyQUYOBLFQESPFCR-QMMMGPOBSA-N
MW252.71 g/mol
LogP1.61
Rot. Bonds4

About (2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide

(2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide (PubChem CID 100761673) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is (2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide.

Molecular Properties

Compound Name(2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide
PubChem CID100761673
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name(2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide
SMILESCCN(CC)C(=O)[C@@H](C#N)c1cc(Cl)ncn1
InChIInChI=1S/C11H13ClN4O/c1-3-16(4-2)11(17)8(6-13)9-5-10(12)15-7-14-9/h5,7-8H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyQUYOBLFQESPFCR-QMMMGPOBSA-N
XLogP1.61
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide?
The IUPAC name of (2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide (CID 100761673) is (2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide.
What is the SMILES notation for (2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide?
The canonical SMILES for (2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide is CCN(CC)C(=O)[C@@H](C#N)c1cc(Cl)ncn1.
What is the InChIKey of (2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide?
The InChIKey is QUYOBLFQESPFCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-3-16(4-2)11(17)8(6-13)9-5-10(12)15-7-14-9/h5,7-8H,3-4H2,1-2H3/t8-/m0/s1.
What are the key properties of (2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide?
(2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide has a molecular weight of 252.71 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-chloropyrimidin-4-yl)-2-cyano-N,N-diethylacetamide is sourced from PubChem (CID 100761673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).