CID 88936750

C15H19BN4O2 — CID 88936750

IUPAC—
SMILES[B]c1cc2c(C)nc(N)nc2n(C2CCC(OC)CC2)c1=O
InChIInChI=1S/C15H19BN4O2/c1-8-11-7-12(16)14(21)20(13(11)19-15(17)18-8)9-3-5-10(22-2)6-4-9/h7,9-10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeySGHFKPYNJZMAHW-UHFFFAOYSA-N
MW298.16 g/mol
LogP0.61
Rot. Bonds2

About CID 88936750

CID 88936750 (PubChem CID 88936750) has the molecular formula C15H19BN4O2 and a molecular weight of 298.16 g/mol.

Molecular Properties

Compound NameCID 88936750
PubChem CID88936750
Molecular FormulaC15H19BN4O2
Molecular Weight298.16 g/mol
Exact Mass298.16
IUPAC Name—
SMILES[B]c1cc2c(C)nc(N)nc2n(C2CCC(OC)CC2)c1=O
InChIInChI=1S/C15H19BN4O2/c1-8-11-7-12(16)14(21)20(13(11)19-15(17)18-8)9-3-5-10(22-2)6-4-9/h7,9-10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeySGHFKPYNJZMAHW-UHFFFAOYSA-N
XLogP0.61
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258910
2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 71131657
2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67240606
CID 89085118
CID 89085118
2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259015
2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 25032388
2-[4-[2-amino-6-(5-fluoro-2-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 67238402
2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 59272731
2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258864
4-[[6-fluoro-8-(4-methoxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-methylpyrrole-2-carboxylic acid
CID 11633332
2-amino-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 70304240
[4-[[6-fluoro-8-(4-methoxycyclohexyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-1-methylpyrrol-2-yl] hydrogen carbonate
CID 69371966

Frequently Asked Questions

What is the IUPAC name of CID 88936750?
The IUPAC name of CID 88936750 (CID 88936750) is not available.
What is the SMILES notation for CID 88936750?
The canonical SMILES for CID 88936750 is [B]c1cc2c(C)nc(N)nc2n(C2CCC(OC)CC2)c1=O.
What is the InChIKey of CID 88936750?
The InChIKey is SGHFKPYNJZMAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BN4O2/c1-8-11-7-12(16)14(21)20(13(11)19-15(17)18-8)9-3-5-10(22-2)6-4-9/h7,9-10H,3-6H2,1-2H3,(H2,17,18,19).
What are the key properties of CID 88936750?
CID 88936750 has a molecular weight of 298.16 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88936750 is sourced from PubChem (CID 88936750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).