7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C14H19N5O — CID 136816506

IUPAC7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(Cc1cn(C)nc1C)C2
InChIInChI=1S/C14H19N5O/c1-9-11(6-18(3)17-9)7-19-5-4-12-13(8-19)15-10(2)16-14(12)20/h6H,4-5,7-8H2,1-3H3,(H,15,16,20)
InChIKeyXHKWZGKNQZIVKQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.68
Rot. Bonds2

About 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136816506) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136816506
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(Cc1cn(C)nc1C)C2
InChIInChI=1S/C14H19N5O/c1-9-11(6-18(3)17-9)7-19-5-4-12-13(8-19)15-10(2)16-14(12)20/h6H,4-5,7-8H2,1-3H3,(H,15,16,20)
InChIKeyXHKWZGKNQZIVKQ-UHFFFAOYSA-N
XLogP0.68
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136816506) is 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CCN(Cc1cn(C)nc1C)C2.
What is the InChIKey of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is XHKWZGKNQZIVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-11(6-18(3)17-9)7-19-5-4-12-13(8-19)15-10(2)16-14(12)20/h6H,4-5,7-8H2,1-3H3,(H,15,16,20).
What are the key properties of 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136816506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).