2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one

C21H21N5O2 — CID 58449146

IUPAC2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cccc(CC(=O)c3cc4ccccn4n3)c2)N=C1N
InChIInChI=1S/C21H21N5O2/c1-21(13-19(28)25(2)20(22)23-21)15-7-5-6-14(10-15)11-18(27)17-12-16-8-3-4-9-26(16)24-17/h3-10,12H,11,13H2,1-2H3,(H2,22,23)
InChIKeyBCYCLVRJJDELAO-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.15
Rot. Bonds4

About 2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one

2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one (PubChem CID 58449146) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one
PubChem CID58449146
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cccc(CC(=O)c3cc4ccccn4n3)c2)N=C1N
InChIInChI=1S/C21H21N5O2/c1-21(13-19(28)25(2)20(22)23-21)15-7-5-6-14(10-15)11-18(27)17-12-16-8-3-4-9-26(16)24-17/h3-10,12H,11,13H2,1-2H3,(H2,22,23)
InChIKeyBCYCLVRJJDELAO-UHFFFAOYSA-N
XLogP2.15
TPSA93.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one
CID 58448772
2-amino-3,6-dimethyl-6-[3-(2-oxo-2-quinolin-2-ylethyl)phenyl]-5H-pyrimidin-4-one
CID 58448779
2-amino-6-[3-[2-(3-chloro-1-methylpyrazol-5-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448635
2-amino-3,6-dimethyl-6-[3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
CID 58448766
2-amino-6-[3-[2-(3,5-dimethyl-2-pyridinyl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449206
2-amino-6-[3-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448894
2-amino-3,6-dimethyl-6-[3-[2-(3-methylfuran-2-yl)-2-oxoethyl]phenyl]-5H-pyrimidin-4-one
CID 58449047
2-amino-3,6-dimethyl-6-[3-(2-oxo-2-thieno[3,2-b]thiophen-5-ylethyl)phenyl]-5H-pyrimidin-4-one
CID 58449125
2-amino-6-[3-[2-(2-isocyanoimidazo[1,2-a]pyrazin-6-yl)-2-oxoethyl]phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448560
(6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one
CID 70129994
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 23731035
N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide
CID 66644173

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one (CID 58449146) is 2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one is CN1C(=O)CC(C)(c2cccc(CC(=O)c3cc4ccccn4n3)c2)N=C1N.
What is the InChIKey of 2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one?
The InChIKey is BCYCLVRJJDELAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-21(13-19(28)25(2)20(22)23-21)15-7-5-6-14(10-15)11-18(27)17-12-16-8-3-4-9-26(16)24-17/h3-10,12H,11,13H2,1-2H3,(H2,22,23).
What are the key properties of 2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one?
2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one has a molecular weight of 375.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one is sourced from PubChem (CID 58449146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).