2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C15H16N6O2 — CID 59258868

IUPAC2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc(=O)[nH]c1)c(=O)n2C(C)C
InChIInChI=1S/C15H16N6O2/c1-7(2)21-12-10(8(3)19-14(16)20-12)4-11(13(21)22)9-5-17-15(23)18-6-9/h4-7H,1-3H3,(H2,16,19,20)(H,17,18,23)
InChIKeyMASZVOUWNBDWFU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.01
Rot. Bonds2

About 2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258868) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258868
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc(=O)[nH]c1)c(=O)n2C(C)C
InChIInChI=1S/C15H16N6O2/c1-7(2)21-12-10(8(3)19-14(16)20-12)4-11(13(21)22)9-5-17-15(23)18-6-9/h4-7H,1-3H3,(H2,16,19,20)(H,17,18,23)
InChIKeyMASZVOUWNBDWFU-UHFFFAOYSA-N
XLogP1.01
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 59258868) is 2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(-c1cnc(=O)[nH]c1)c(=O)n2C(C)C.
What is the InChIKey of 2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MASZVOUWNBDWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-7(2)21-12-10(8(3)19-14(16)20-12)4-11(13(21)22)9-5-17-15(23)18-6-9/h4-7H,1-3H3,(H2,16,19,20)(H,17,18,23).
What are the key properties of 2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 312.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).