8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride

C12H19ClN4O — CID 169149036

IUPAC8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCN1CCCc2c1nc(C1CCNC1)[nH]c2=O.Cl
InChIInChI=1S/C12H18N4O.ClH/c1-16-6-2-3-9-11(16)14-10(15-12(9)17)8-4-5-13-7-8;/h8,13H,2-7H2,1H3,(H,14,15,17);1H
InChIKeyRKQCMEGXCXIAFJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.65
Rot. Bonds1

About 8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride

8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride (PubChem CID 169149036) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride
PubChem CID169149036
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride
SMILESCN1CCCc2c1nc(C1CCNC1)[nH]c2=O.Cl
InChIInChI=1S/C12H18N4O.ClH/c1-16-6-2-3-9-11(16)14-10(15-12(9)17)8-4-5-13-7-8;/h8,13H,2-7H2,1H3,(H,14,15,17);1H
InChIKeyRKQCMEGXCXIAFJ-UHFFFAOYSA-N
XLogP0.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride?
The IUPAC name of 8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride (CID 169149036) is 8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride is CN1CCCc2c1nc(C1CCNC1)[nH]c2=O.Cl.
What is the InChIKey of 8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride?
The InChIKey is RKQCMEGXCXIAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.ClH/c1-16-6-2-3-9-11(16)14-10(15-12(9)17)8-4-5-13-7-8;/h8,13H,2-7H2,1H3,(H,14,15,17);1H.
What are the key properties of 8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride?
8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 169149036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).