3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol

C15H13N3O2 — CID 57181140

IUPAC3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol
SMILESCOc1ccc(C#CN2C=Nc3[nH]ccc3C2O)cc1
InChIInChI=1S/C15H13N3O2/c1-20-12-4-2-11(3-5-12)7-9-18-10-17-14-13(15(18)19)6-8-16-14/h2-6,8,10,15-16,19H,1H3
InChIKeyCUYOQXRBEWQDLY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.00
Rot. Bonds1

About 3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol

3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol (PubChem CID 57181140) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol
PubChem CID57181140
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol
SMILESCOc1ccc(C#CN2C=Nc3[nH]ccc3C2O)cc1
InChIInChI=1S/C15H13N3O2/c1-20-12-4-2-11(3-5-12)7-9-18-10-17-14-13(15(18)19)6-8-16-14/h2-6,8,10,15-16,19H,1H3
InChIKeyCUYOQXRBEWQDLY-UHFFFAOYSA-N
XLogP2.00
TPSA60.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methoxyphenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 19005036
4-[2-(4-methoxyphenyl)ethynyl]pyridine
CID 4595253
4-chloro-5-[2-(4-methoxyphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 156786375
bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane
CID 101413036
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405
3-[2-(4-methoxyphenyl)ethynyl]phenol
CID 53439775
1,5-bis(4-methoxyphenyl)-3-methylpenta-1,4-diyn-3-ol
CID 139242349
5-(4-methoxyphenyl)penta-1,2-dien-4-yn-3-yl-trimethylsilane
CID 102159100
1-[3,5-bis[2-(4-methoxyphenyl)ethynyl]phenyl]-3,5-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 102282889
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
N-butyl-3-(4-methoxyphenyl)prop-2-ynamide
CID 50917907
N-(4-bromophenyl)-4-[2-[4-(4-methoxyphenyl)sulfanylphenyl]ethynyl]aniline
CID 132603613

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol (CID 57181140) is 3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol is COc1ccc(C#CN2C=Nc3[nH]ccc3C2O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol?
The InChIKey is CUYOQXRBEWQDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-12-4-2-11(3-5-12)7-9-18-10-17-14-13(15(18)19)6-8-16-14/h2-6,8,10,15-16,19H,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol?
3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol has a molecular weight of 267.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethynyl]-4,7-dihydropyrrolo[2,3-d]pyrimidin-4-ol is sourced from PubChem (CID 57181140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).