5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide

C16H18ClN3O — CID 62020747

IUPAC5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1nc(C(C)C)ncc1Cl)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-4-20(12-8-6-5-7-9-12)16(21)14-13(17)10-18-15(19-14)11(2)3/h5-11H,4H2,1-3H3
InChIKeyJMKCZHZKGKVSLX-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.92
Rot. Bonds4

About 5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62020747) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62020747
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1nc(C(C)C)ncc1Cl)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-4-20(12-8-6-5-7-9-12)16(21)14-13(17)10-18-15(19-14)11(2)3/h5-11H,4H2,1-3H3
InChIKeyJMKCZHZKGKVSLX-UHFFFAOYSA-N
XLogP3.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 103101766
5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62015370
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86858496
N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119581566
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62014799
5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62016557
5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 62017148
3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190217
5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62014792
5-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86858519
5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 112754436
5-chloro-N-ethyl-N-(3-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6462190

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 62020747) is 5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide is CCN(C(=O)c1nc(C(C)C)ncc1Cl)c1ccccc1.
What is the InChIKey of 5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is JMKCZHZKGKVSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-4-20(12-8-6-5-7-9-12)16(21)14-13(17)10-18-15(19-14)11(2)3/h5-11H,4H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62020747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).