ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one

C10H15N3O — CID 143776228

IUPACethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one
SMILESCC.CN1Cc2ccncc2NC1=O
InChIInChI=1S/C8H9N3O.C2H6/c1-11-5-6-2-3-9-4-7(6)10-8(11)12;1-2/h2-4H,5H2,1H3,(H,10,12);1-2H3
InChIKeyNMOMKSQIKFZKLZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.09
Rot. Bonds

About ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one

ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one (PubChem CID 143776228) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one
PubChem CID143776228
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Nameethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one
SMILESCC.CN1Cc2ccncc2NC1=O
InChIInChI=1S/C8H9N3O.C2H6/c1-11-5-6-2-3-9-4-7(6)10-8(11)12;1-2/h2-4H,5H2,1H3,(H,10,12);1-2H3
InChIKeyNMOMKSQIKFZKLZ-UHFFFAOYSA-N
XLogP2.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one (CID 143776228) is ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one is CC.CN1Cc2ccncc2NC1=O.
What is the InChIKey of ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one?
The InChIKey is NMOMKSQIKFZKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.C2H6/c1-11-5-6-2-3-9-4-7(6)10-8(11)12;1-2/h2-4H,5H2,1H3,(H,10,12);1-2H3.
What are the key properties of ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one?
ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,4-dihydropyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 143776228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).