2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide

C19H20N6O — CID 123699015

IUPAC2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCn1ccc2c(Nc3nc(N4CC4C4CC4)ncc3C(N)=O)cccc21
InChIInChI=1S/C19H20N6O/c1-24-8-7-12-14(3-2-4-15(12)24)22-18-13(17(20)26)9-21-19(23-18)25-10-16(25)11-5-6-11/h2-4,7-9,11,16H,5-6,10H2,1H3,(H2,20,26)(H,21,22,23)
InChIKeyDKRQSXMAECLHOJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.41
Rot. Bonds5

About 2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide

2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 123699015) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID123699015
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCn1ccc2c(Nc3nc(N4CC4C4CC4)ncc3C(N)=O)cccc21
InChIInChI=1S/C19H20N6O/c1-24-8-7-12-14(3-2-4-15(12)24)22-18-13(17(20)26)9-21-19(23-18)25-10-16(25)11-5-6-11/h2-4,7-9,11,16H,5-6,10H2,1H3,(H2,20,26)(H,21,22,23)
InChIKeyDKRQSXMAECLHOJ-UHFFFAOYSA-N
XLogP2.41
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide
CID 67509617
2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
CID 67001909
[1-tert-butyl-2-[[6-carbamoyl-5-[(1-methylindol-4-yl)amino]-1,2,4-triazin-3-yl]amino]cyclohexyl] carbamate
CID 90308859
2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide
CID 176858343
N-cyclohexyl-1-methylindol-4-amine
CID 159436359
ethyl 3-chloro-5-[(1-methylindol-4-yl)amino]-1,2,4-triazine-6-carboxylate
CID 90308765
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781
4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 118593207
2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide
CID 67185316
6-[[(1R,2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-2-[(1-ethylindol-4-yl)amino]-5-fluoropyridine-3-carboxamide
CID 147481318
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1-methylpyrrolo[2,3-c]pyridin-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 118097615
2-(4-imino-1-pyridinyl)-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 70657945

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide (CID 123699015) is 2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide is Cn1ccc2c(Nc3nc(N4CC4C4CC4)ncc3C(N)=O)cccc21.
What is the InChIKey of 2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is DKRQSXMAECLHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24-8-7-12-14(3-2-4-15(12)24)22-18-13(17(20)26)9-21-19(23-18)25-10-16(25)11-5-6-11/h2-4,7-9,11,16H,5-6,10H2,1H3,(H2,20,26)(H,21,22,23).
What are the key properties of 2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide?
2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 123699015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).