2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

C15H15F3N6O2 — CID 136664831

IUPAC2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCc1nc(C2CC(NC(=O)c3cnc(N)nc3C(F)(F)F)C2)cc(=O)[nH]1
InChIInChI=1S/C15H15F3N6O2/c1-6-21-10(4-11(25)22-6)7-2-8(3-7)23-13(26)9-5-20-14(19)24-12(9)15(16,17)18/h4-5,7-8H,2-3H2,1H3,(H,23,26)(H2,19,20,24)(H,21,22,25)
InChIKeyJZLLGMPEXXVYBF-UHFFFAOYSA-N
MW368.32 g/mol
LogP1.15
Rot. Bonds3

About 2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 136664831) has the molecular formula C15H15F3N6O2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID136664831
Molecular FormulaC15H15F3N6O2
Molecular Weight368.32 g/mol
Exact Mass368.12
IUPAC Name2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCc1nc(C2CC(NC(=O)c3cnc(N)nc3C(F)(F)F)C2)cc(=O)[nH]1
InChIInChI=1S/C15H15F3N6O2/c1-6-21-10(4-11(25)22-6)7-2-8(3-7)23-13(26)9-5-20-14(19)24-12(9)15(16,17)18/h4-5,7-8H,2-3H2,1H3,(H,23,26)(H2,19,20,24)(H,21,22,25)
InChIKeyJZLLGMPEXXVYBF-UHFFFAOYSA-N
XLogP1.15
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 136664831) is 2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide is Cc1nc(C2CC(NC(=O)c3cnc(N)nc3C(F)(F)F)C2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is JZLLGMPEXXVYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O2/c1-6-21-10(4-11(25)22-6)7-2-8(3-7)23-13(26)9-5-20-14(19)24-12(9)15(16,17)18/h4-5,7-8H,2-3H2,1H3,(H,23,26)(H2,19,20,24)(H,21,22,25).
What are the key properties of 2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 368.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 136664831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).