2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C20H21N5O2 — CID 67285328

IUPAC2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCn1c(-c2nc(N)ncc2CCc2cccc(O)c2)cc2c1CCNC2=O
InChIInChI=1S/C20H21N5O2/c1-25-16-7-8-22-19(27)15(16)10-17(25)18-13(11-23-20(21)24-18)6-5-12-3-2-4-14(26)9-12/h2-4,9-11,26H,5-8H2,1H3,(H,22,27)(H2,21,23,24)
InChIKeyYCZKWNGCWSFYDR-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.84
Rot. Bonds4

About 2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 67285328) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID67285328
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCn1c(-c2nc(N)ncc2CCc2cccc(O)c2)cc2c1CCNC2=O
InChIInChI=1S/C20H21N5O2/c1-25-16-7-8-22-19(27)15(16)10-17(25)18-13(11-23-20(21)24-18)6-5-12-3-2-4-14(26)9-12/h2-4,9-11,26H,5-8H2,1H3,(H,22,27)(H2,21,23,24)
InChIKeyYCZKWNGCWSFYDR-UHFFFAOYSA-N
XLogP1.84
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 67285328) is 2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cn1c(-c2nc(N)ncc2CCc2cccc(O)c2)cc2c1CCNC2=O.
What is the InChIKey of 2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is YCZKWNGCWSFYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25-16-7-8-22-19(27)15(16)10-17(25)18-13(11-23-20(21)24-18)6-5-12-3-2-4-14(26)9-12/h2-4,9-11,26H,5-8H2,1H3,(H,22,27)(H2,21,23,24).
What are the key properties of 2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 363.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[2-(3-hydroxyphenyl)ethyl]pyrimidin-4-yl]-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 67285328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).