N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

C14H14Cl2N4O — CID 109247242

IUPACN-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C14H14Cl2N4O/c1-8(2)19-14-17-6-9(7-18-14)13(21)20-12-5-10(15)3-4-11(12)16/h3-8H,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyLTZNZNZJZDXEON-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.86
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 109247242) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID109247242
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC NameN-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C14H14Cl2N4O/c1-8(2)19-14-17-6-9(7-18-14)13(21)20-12-5-10(15)3-4-11(12)16/h3-8H,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyLTZNZNZJZDXEON-UHFFFAOYSA-N
XLogP3.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223537
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109250627
N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247233
N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262569
2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267194
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380288
N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247206
N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247172
N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
CID 43582385
methyl 2-[[2-(propan-2-ylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247207
6-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109152458

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 109247242) is N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(C)Nc1ncc(C(=O)Nc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is LTZNZNZJZDXEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c1-8(2)19-14-17-6-9(7-18-14)13(21)20-12-5-10(15)3-4-11(12)16/h3-8H,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).