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

C15H17ClN4O — CID 115914717

IUPAC2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17ClN4O/c1-3-17-15(21)10(2)18-13-9-12(16)19-14(20-13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyLQTPJSBSRLJCLC-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.73
Rot. Bonds5

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

2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide (PubChem CID 115914717) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide
PubChem CID115914717
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17ClN4O/c1-3-17-15(21)10(2)18-13-9-12(16)19-14(20-13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyLQTPJSBSRLJCLC-UHFFFAOYSA-N
XLogP2.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 115914664
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-ethylpropanamide
CID 102715642
4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
CID 115914889
(2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
CID 94750026
6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
CID 106194435
N-ethyl-2-[(6-methyl-2-pyridinyl)amino]propanamide
CID 61480114
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide
CID 112559814
(2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 89284882
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851537
6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54959157
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854334

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide (CID 115914717) is 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide?
The InChIKey is LQTPJSBSRLJCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-17-15(21)10(2)18-13-9-12(16)19-14(20-13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide?
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide has a molecular weight of 304.78 g/mol, XLogP of 2.73, 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-ethylpropanamide is sourced from PubChem (CID 115914717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).