2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C13H19F3N4O — CID 62171738

IUPAC2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCCNc1cnc(C(C)C)nc1C(=O)NCC(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-4-5-17-9-6-18-11(8(2)3)20-10(9)12(21)19-7-13(14,15)16/h6,8,17H,4-5,7H2,1-3H3,(H,19,21)
InChIKeyQEQXXOASBABBSY-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.71
Rot. Bonds6

About 2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 62171738) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID62171738
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCCCNc1cnc(C(C)C)nc1C(=O)NCC(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-4-5-17-9-6-18-11(8(2)3)20-10(9)12(21)19-7-13(14,15)16/h6,8,17H,4-5,7H2,1-3H3,(H,19,21)
InChIKeyQEQXXOASBABBSY-UHFFFAOYSA-N
XLogP2.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 62171738) is 2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CCCNc1cnc(C(C)C)nc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is QEQXXOASBABBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-4-5-17-9-6-18-11(8(2)3)20-10(9)12(21)19-7-13(14,15)16/h6,8,17H,4-5,7H2,1-3H3,(H,19,21).
What are the key properties of 2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62171738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).