cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one

C19H29F3N4O2 — CID 142517890

IUPACcyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCC.CC(CC(F)(F)F)Nc1ncc2c(=O)[nH]ccc2n1.OC1CCCCC1
InChIInChI=1S/C11H11F3N4O.C6H12O.C2H6/c1-6(4-11(12,13)14)17-10-16-5-7-8(18-10)2-3-15-9(7)19;7-6-4-2-1-3-5-6;1-2/h2-3,5-6H,4H2,1H3,(H,15,19)(H,16,17,18);6-7H,1-5H2;1-2H3
InChIKeyMCHWWNZFZLZHQR-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.41
Rot. Bonds3

About cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one

cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 142517890) has the molecular formula C19H29F3N4O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Namecyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID142517890
Molecular FormulaC19H29F3N4O2
Molecular Weight402.46 g/mol
Exact Mass402.22
IUPAC Namecyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCC.CC(CC(F)(F)F)Nc1ncc2c(=O)[nH]ccc2n1.OC1CCCCC1
InChIInChI=1S/C11H11F3N4O.C6H12O.C2H6/c1-6(4-11(12,13)14)17-10-16-5-7-8(18-10)2-3-15-9(7)19;7-6-4-2-1-3-5-6;1-2/h2-3,5-6H,4H2,1H3,(H,15,19)(H,16,17,18);6-7H,1-5H2;1-2H3
InChIKeyMCHWWNZFZLZHQR-UHFFFAOYSA-N
XLogP4.41
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane
CID 142517765
cyclobutanol;8-cyclohexyl-2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 142517728
4-[5-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
CID 167242691
N-[3-[8-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-yl]oxycyclobutyl]acetamide
CID 137420302
4-[5-[3-(morpholin-4-ylmethyl)cyclobutyl]oxy-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420267
2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 20867039
5-[7-cyclohexyl-2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]-1H-pyridin-2-one
CID 137399578
2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 175961168
3-[(5-cyclohexylpyrimidin-2-yl)amino]butanoic acid
CID 116975261
2-(propan-2-ylamino)quinazoline-6-carboxylic acid
CID 165494304
4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol
CID 170573052
4-[5-bromo-2-[1-(difluoromethoxy)propan-2-ylamino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
CID 137379954

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (CID 142517890) is cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is CC.CC(CC(F)(F)F)Nc1ncc2c(=O)[nH]ccc2n1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is MCHWWNZFZLZHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O.C6H12O.C2H6/c1-6(4-11(12,13)14)17-10-16-5-7-8(18-10)2-3-15-9(7)19;7-6-4-2-1-3-5-6;1-2/h2-3,5-6H,4H2,1H3,(H,15,19)(H,16,17,18);6-7H,1-5H2;1-2H3.
What are the key properties of cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 402.46 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 142517890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).