8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C18H20N4O3 — CID 95111905

IUPAC8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(-c2ccncc2)nc2c1CCC(=O)N2C[C@H]1COCCO1
InChIInChI=1S/C18H20N4O3/c1-12-15-2-3-16(23)22(10-14-11-24-8-9-25-14)18(15)21-17(20-12)13-4-6-19-7-5-13/h4-7,14H,2-3,8-11H2,1H3/t14-/m0/s1
InChIKeyAULCCJGMFQYOBP-AWEZNQCLSA-N
MW340.38 g/mol
LogP1.54
Rot. Bonds3

About 8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 95111905) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID95111905
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(-c2ccncc2)nc2c1CCC(=O)N2C[C@H]1COCCO1
InChIInChI=1S/C18H20N4O3/c1-12-15-2-3-16(23)22(10-14-11-24-8-9-25-14)18(15)21-17(20-12)13-4-6-19-7-5-13/h4-7,14H,2-3,8-11H2,1H3/t14-/m0/s1
InChIKeyAULCCJGMFQYOBP-AWEZNQCLSA-N
XLogP1.54
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 95111905) is 8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(-c2ccncc2)nc2c1CCC(=O)N2C[C@H]1COCCO1.
What is the InChIKey of 8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AULCCJGMFQYOBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-15-2-3-16(23)22(10-14-11-24-8-9-25-14)18(15)21-17(20-12)13-4-6-19-7-5-13/h4-7,14H,2-3,8-11H2,1H3/t14-/m0/s1.
What are the key properties of 8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 340.38 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methyl-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 95111905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).