6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C14H18N4O3 — CID 22280342

IUPAC6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc2cnc(NC3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C14H18N4O3/c1-18-12-9(7-11(20-2)13(18)19)8-15-14(17-12)16-10-3-5-21-6-4-10/h7-8,10H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyQZEZRHZKRHBDSO-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.93
Rot. Bonds3

About 6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 22280342) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID22280342
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cc2cnc(NC3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C14H18N4O3/c1-18-12-9(7-11(20-2)13(18)19)8-15-14(17-12)16-10-3-5-21-6-4-10/h7-8,10H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyQZEZRHZKRHBDSO-UHFFFAOYSA-N
XLogP0.93
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 22280342) is 6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is COc1cc2cnc(NC3CCOCC3)nc2n(C)c1=O.
What is the InChIKey of 6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QZEZRHZKRHBDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-18-12-9(7-11(20-2)13(18)19)8-15-14(17-12)16-10-3-5-21-6-4-10/h7-8,10H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 290.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22280342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).