(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone

C19H14N4O — CID 73294489

IUPAC(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone
SMILESNc1ncnc2[nH]c(C(=O)c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C19H14N4O/c20-18-15-14(12-7-3-1-4-8-12)16(23-19(15)22-11-21-18)17(24)13-9-5-2-6-10-13/h1-11H,(H3,20,21,22,23)
InChIKeyQRAUKPZLJUQYEA-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.44
Rot. Bonds3

About (4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone

(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone (PubChem CID 73294489) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is (4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone
PubChem CID73294489
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone
SMILESNc1ncnc2[nH]c(C(=O)c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C19H14N4O/c20-18-15-14(12-7-3-1-4-8-12)16(23-19(15)22-11-21-18)17(24)13-9-5-2-6-10-13/h1-11H,(H3,20,21,22,23)
InChIKeyQRAUKPZLJUQYEA-UHFFFAOYSA-N
XLogP3.44
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo(2,3-d)pyrimidin-6-yl)-2-fluoroethanone
CID 644243
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 74221357
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 69183822
Btk-IN-15
CID 164887528
4-cyclopropyl-N-[[2-fluoro-4-[5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]benzamide
CID 168281655
4-(7H-purin-6-ylamino)benzamide
CID 5047828
2,4-Diamino-6-(3-Formylphenyl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 118708722
N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide
CID 155289261
N-[[4-[5-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-fluorophenyl]methyl]benzamide
CID 168285672
4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide
CID 10401837
3-[[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide
CID 57404048
3-[[4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide
CID 68518614

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone?
The IUPAC name of (4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone (CID 73294489) is (4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone.
What is the SMILES notation for (4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone?
The canonical SMILES for (4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone is Nc1ncnc2[nH]c(C(=O)c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of (4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone?
The InChIKey is QRAUKPZLJUQYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c20-18-15-14(12-7-3-1-4-8-12)16(23-19(15)22-11-21-18)17(24)13-9-5-2-6-10-13/h1-11H,(H3,20,21,22,23).
What are the key properties of (4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone?
(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone has a molecular weight of 314.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-phenylmethanone is sourced from PubChem (CID 73294489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).