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

C11H18N4O — CID 115144903

IUPAC4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCC(C)N(C)c1nc(=O)[nH]c2c1CNCC2
InChIInChI=1S/C11H18N4O/c1-7(2)15(3)10-8-6-12-5-4-9(8)13-11(16)14-10/h7,12H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyBDWPJQDQFKJZKD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.26
Rot. Bonds2

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

4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 115144903) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID115144903
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
SMILESCC(C)N(C)c1nc(=O)[nH]c2c1CNCC2
InChIInChI=1S/C11H18N4O/c1-7(2)15(3)10-8-6-12-5-4-9(8)13-11(16)14-10/h7,12H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyBDWPJQDQFKJZKD-UHFFFAOYSA-N
XLogP0.26
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one (CID 115144903) is 4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one is CC(C)N(C)c1nc(=O)[nH]c2c1CNCC2.
What is the InChIKey of 4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is BDWPJQDQFKJZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(2)15(3)10-8-6-12-5-4-9(8)13-11(16)14-10/h7,12H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of 4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one?
4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)amino]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 115144903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).