2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide

C14H15ClN4O — CID 115914664

IUPAC2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H15ClN4O/c1-2-16-13(20)9-17-12-8-11(15)18-14(19-12)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyVQMGZPHQSRVLPG-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.35
Rot. Bonds5

About 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide

2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide (PubChem CID 115914664) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide
PubChem CID115914664
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H15ClN4O/c1-2-16-13(20)9-17-12-8-11(15)18-14(19-12)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyVQMGZPHQSRVLPG-UHFFFAOYSA-N
XLogP2.35
TPSA66.91 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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 115914667
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 115914717
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide
CID 63588208
6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 114943692
6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine
CID 115914756
2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 115915242
2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757208
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248450
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854334
N-ethyl-2-(quinolin-2-ylamino)acetamide
CID 43398620
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide (CID 115914664) is 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide is CCNC(=O)CNc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide?
The InChIKey is VQMGZPHQSRVLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-2-16-13(20)9-17-12-8-11(15)18-14(19-12)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide?
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide has a molecular weight of 290.75 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 115914664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).