1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

C20H24F6N4O3 — CID 59414922

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
SMILESNc1nc2c(c(=O)n1C(C1CCC1)C1CCC1)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C20H24F6N4O3/c21-19(22,23)16(20(24,25)26)33-18(32)29-8-7-12-13(9-29)28-17(27)30(15(12)31)14(10-3-1-4-10)11-5-2-6-11/h10-11,14,16H,1-9H2,(H2,27,28)
InChIKeyQENJNSPWXACZBW-UHFFFAOYSA-N
MW482.43 g/mol
LogP3.95
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate (PubChem CID 59414922) has the molecular formula C20H24F6N4O3 and a molecular weight of 482.43 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
PubChem CID59414922
Molecular FormulaC20H24F6N4O3
Molecular Weight482.43 g/mol
Exact Mass482.18
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
SMILESNc1nc2c(c(=O)n1C(C1CCC1)C1CCC1)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C20H24F6N4O3/c21-19(22,23)16(20(24,25)26)33-18(32)29-8-7-12-13(9-29)28-17(27)30(15(12)31)14(10-3-1-4-10)11-5-2-6-11/h10-11,14,16H,1-9H2,(H2,27,28)
InChIKeyQENJNSPWXACZBW-UHFFFAOYSA-N
XLogP3.95
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate (CID 59414922) is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate is Nc1nc2c(c(=O)n1C(C1CCC1)C1CCC1)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)C2.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
The InChIKey is QENJNSPWXACZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F6N4O3/c21-19(22,23)16(20(24,25)26)33-18(32)29-8-7-12-13(9-29)28-17(27)30(15(12)31)14(10-3-1-4-10)11-5-2-6-11/h10-11,14,16H,1-9H2,(H2,27,28).
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate has a molecular weight of 482.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-amino-3-[di(cyclobutyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 59414922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).