5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide

C12H17F3N4O — CID 63228071

IUPAC5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-7(2)10-18-6-8(16-3)9(19-10)11(20)17-5-4-12(13,14)15/h6-7,16H,4-5H2,1-3H3,(H,17,20)
InChIKeyKVKBUISSGWSBMY-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.32
Rot. Bonds5

About 5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide

5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide (PubChem CID 63228071) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
PubChem CID63228071
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-7(2)10-18-6-8(16-3)9(19-10)11(20)17-5-4-12(13,14)15/h6-7,16H,4-5H2,1-3H3,(H,17,20)
InChIKeyKVKBUISSGWSBMY-UHFFFAOYSA-N
XLogP2.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide (CID 63228071) is 5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)NCCC(F)(F)F.
What is the InChIKey of 5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide?
The InChIKey is KVKBUISSGWSBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7(2)10-18-6-8(16-3)9(19-10)11(20)17-5-4-12(13,14)15/h6-7,16H,4-5H2,1-3H3,(H,17,20).
What are the key properties of 5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide?
5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 63228071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).