4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide

C19H15N5O — CID 45269114

IUPAC4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)nc2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H15N5O/c20-18(25)12-7-5-11(6-8-12)14-9-23-19(21)24-17(14)15-10-22-16-4-2-1-3-13(15)16/h1-10,22H,(H2,20,25)(H2,21,23,24)
InChIKeyXWNKQLLEHLJVHH-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.97
Rot. Bonds3

About 4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide

4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide (PubChem CID 45269114) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide
PubChem CID45269114
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)nc2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H15N5O/c20-18(25)12-7-5-11(6-8-12)14-9-23-19(21)24-17(14)15-10-22-16-4-2-1-3-13(15)16/h1-10,22H,(H2,20,25)(H2,21,23,24)
InChIKeyXWNKQLLEHLJVHH-UHFFFAOYSA-N
XLogP2.97
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Thz1
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Sotrastaurin
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Indoramin hydrochloride
CID 38102
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
Thz531
CID 118025540
Y-39983
CID 11507964
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
Quisinostat Hydrochloride
CID 25067557
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide (CID 45269114) is 4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide is NC(=O)c1ccc(-c2cnc(N)nc2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide?
The InChIKey is XWNKQLLEHLJVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-18(25)12-7-5-11(6-8-12)14-9-23-19(21)24-17(14)15-10-22-16-4-2-1-3-13(15)16/h1-10,22H,(H2,20,25)(H2,21,23,24).
What are the key properties of 4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide?
4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 45269114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).