5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide

C14H14F2N4O — CID 62152689

IUPAC5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)Nc2cc(F)ccc2F)n1
InChIInChI=1S/C14H14F2N4O/c1-7(2)13-18-6-10(17)12(20-13)14(21)19-11-5-8(15)3-4-9(11)16/h3-7H,17H2,1-2H3,(H,19,21)
InChIKeyHMIBZHNKUXLNEY-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.71
Rot. Bonds3

About 5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62152689) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62152689
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)Nc2cc(F)ccc2F)n1
InChIInChI=1S/C14H14F2N4O/c1-7(2)13-18-6-10(17)12(20-13)14(21)19-11-5-8(15)3-4-9(11)16/h3-7H,17H2,1-2H3,(H,19,21)
InChIKeyHMIBZHNKUXLNEY-UHFFFAOYSA-N
XLogP2.71
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107606077
5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155005
5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 65042334
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
6-amino-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 62152342
5-(2-bromo-5-fluoroanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 107636250
5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55043487
4-amino-N-(2,5-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668151
N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119420651
5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide
CID 62952498
2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide
CID 114325502
N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 62022282

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62152689) is 5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)Nc2cc(F)ccc2F)n1.
What is the InChIKey of 5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is HMIBZHNKUXLNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-7(2)13-18-6-10(17)12(20-13)14(21)19-11-5-8(15)3-4-9(11)16/h3-7H,17H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62152689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).