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

C28H50N4O3 — CID 142517765

IUPAC2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane
SMILESCC.CC(C)(O)C1CCCCC1.CCC(C)Nc1ncc2c(=O)[nH]ccc2n1.OC1CCCCC1
InChIInChI=1S/C11H14N4O.C9H18O.C6H12O.C2H6/c1-3-7(2)14-11-13-6-8-9(15-11)4-5-12-10(8)16;1-9(2,10)8-6-4-3-5-7-8;7-6-4-2-1-3-5-6;1-2/h4-7H,3H2,1-2H3,(H,12,16)(H,13,14,15);8,10H,3-7H2,1-2H3;6-7H,1-5H2;1-2H3
InChIKeyIFMYDPBEDSZJQO-UHFFFAOYSA-N
MW490.73 g/mol
LogP6.20
Rot. Bonds4

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

2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane (PubChem CID 142517765) has the molecular formula C28H50N4O3 and a molecular weight of 490.73 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane.

Molecular Properties

Compound Name2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane
PubChem CID142517765
Molecular FormulaC28H50N4O3
Molecular Weight490.73 g/mol
Exact Mass490.39
IUPAC Name2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane
SMILESCC.CC(C)(O)C1CCCCC1.CCC(C)Nc1ncc2c(=O)[nH]ccc2n1.OC1CCCCC1
InChIInChI=1S/C11H14N4O.C9H18O.C6H12O.C2H6/c1-3-7(2)14-11-13-6-8-9(15-11)4-5-12-10(8)16;1-9(2,10)8-6-4-3-5-7-8;7-6-4-2-1-3-5-6;1-2/h4-7H,3H2,1-2H3,(H,12,16)(H,13,14,15);8,10H,3-7H2,1-2H3;6-7H,1-5H2;1-2H3
InChIKeyIFMYDPBEDSZJQO-UHFFFAOYSA-N
XLogP6.20
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.73
LogP ≤ 56.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

cyclohexanol;ethane;2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 142517890
cyclobutanol;8-cyclohexyl-2-(4,4,4-trifluorobutan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 142517728
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736
2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 20867039
5-amino-2-(butan-2-ylamino)-8-cyclobutyl-6-methylpyrido[2,3-d]pyrimidin-7-one
CID 143885408
2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 175961168
2-(propan-2-ylamino)quinazoline-6-carboxylic acid
CID 165494304
N-butyl-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-2-amine;cyclohexanol
CID 142517818
N-butan-2-yl-5-methylpyrimidin-2-amine
CID 63208225
4-[2-[[(2S)-butan-2-yl]amino]-5-(5-hydroxypentoxy)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155120191
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155120196

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane?
The IUPAC name of 2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane (CID 142517765) is 2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane.
What is the SMILES notation for 2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane?
The canonical SMILES for 2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane is CC.CC(C)(O)C1CCCCC1.CCC(C)Nc1ncc2c(=O)[nH]ccc2n1.OC1CCCCC1.
What is the InChIKey of 2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane?
The InChIKey is IFMYDPBEDSZJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.C9H18O.C6H12O.C2H6/c1-3-7(2)14-11-13-6-8-9(15-11)4-5-12-10(8)16;1-9(2,10)8-6-4-3-5-7-8;7-6-4-2-1-3-5-6;1-2/h4-7H,3H2,1-2H3,(H,12,16)(H,13,14,15);8,10H,3-7H2,1-2H3;6-7H,1-5H2;1-2H3.
What are the key properties of 2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane?
2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane has a molecular weight of 490.73 g/mol, XLogP of 6.20, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one;cyclohexanol;2-cyclohexylpropan-2-ol;ethane is sourced from PubChem (CID 142517765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).