5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide

C12H17F3N4O2 — CID 63832909

IUPAC5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCCOCC(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O2/c1-7(2)10-18-5-8(16)9(19-10)11(20)17-3-4-21-6-12(13,14)15/h5,7H,3-4,6,16H2,1-2H3,(H,17,20)
InChIKeyMSOMTOUMGBMKJH-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.49
Rot. Bonds6

About 5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide

5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide (PubChem CID 63832909) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide
PubChem CID63832909
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCCOCC(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O2/c1-7(2)10-18-5-8(16)9(19-10)11(20)17-3-4-21-6-12(13,14)15/h5,7H,3-4,6,16H2,1-2H3,(H,17,20)
InChIKeyMSOMTOUMGBMKJH-UHFFFAOYSA-N
XLogP1.49
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide (CID 63832909) is 5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)NCCOCC(F)(F)F)n1.
What is the InChIKey of 5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide?
The InChIKey is MSOMTOUMGBMKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-7(2)10-18-5-8(16)9(19-10)11(20)17-3-4-21-6-12(13,14)15/h5,7H,3-4,6,16H2,1-2H3,(H,17,20).
What are the key properties of 5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide?
5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 63832909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).