4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide

C13H11N5O — CID 90082572

IUPAC4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(-c2cccc3[nH]ccc23)nc1N
InChIInChI=1S/C13H11N5O/c14-11-9(12(15)19)6-17-13(18-11)8-2-1-3-10-7(8)4-5-16-10/h1-6,16H,(H2,15,19)(H2,14,17,18)
InChIKeyRUNGXHYJSMPJAS-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.31
Rot. Bonds2

About 4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide

4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide (PubChem CID 90082572) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide
PubChem CID90082572
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(-c2cccc3[nH]ccc23)nc1N
InChIInChI=1S/C13H11N5O/c14-11-9(12(15)19)6-17-13(18-11)8-2-1-3-10-7(8)4-5-16-10/h1-6,16H,(H2,15,19)(H2,14,17,18)
InChIKeyRUNGXHYJSMPJAS-UHFFFAOYSA-N
XLogP1.31
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide
CID 116647923
4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 116647886
2-(1H-indol-4-yl)-5-methoxybenzamide
CID 67929816
4-amino-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 83567501
4-amino-2-pyrazin-2-ylpyrimidine-5-carboxamide
CID 116647862
2-(1H-indol-4-yl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
CID 175863331
4-(1H-indol-4-yl)pyrimidin-2-amine
CID 24957719
5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one
CID 98773093
ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
CID 10491979
4-amino-2-(2-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 83567123
6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid
CID 82382127
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide (CID 90082572) is 4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide is NC(=O)c1cnc(-c2cccc3[nH]ccc23)nc1N.
What is the InChIKey of 4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide?
The InChIKey is RUNGXHYJSMPJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-11-9(12(15)19)6-17-13(18-11)8-2-1-3-10-7(8)4-5-16-10/h1-6,16H,(H2,15,19)(H2,14,17,18).
What are the key properties of 4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide?
4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1H-indol-4-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 90082572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).