N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine

C21H22N8O — CID 91139873

IUPACN-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine
SMILESCc1c(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)[nH]c2ccccc12
InChIInChI=1S/C21H22N8O/c1-13-15-4-2-3-5-16(15)25-19(13)27-18-10-17(14-11-23-20(22)24-12-14)26-21(28-18)29-6-8-30-9-7-29/h2-5,10-12,25H,6-9H2,1H3,(H2,22,23,24)(H,26,27,28)
InChIKeyABZHYZDWKXUKDX-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.89
Rot. Bonds4

About N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine

N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine (PubChem CID 91139873) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine.

Molecular Properties

Compound NameN-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine
PubChem CID91139873
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC NameN-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine
SMILESCc1c(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)[nH]c2ccccc12
InChIInChI=1S/C21H22N8O/c1-13-15-4-2-3-5-16(15)25-19(13)27-18-10-17(14-11-23-20(22)24-12-14)26-21(28-18)29-6-8-30-9-7-29/h2-5,10-12,25H,6-9H2,1H3,(H2,22,23,24)(H,26,27,28)
InChIKeyABZHYZDWKXUKDX-UHFFFAOYSA-N
XLogP2.89
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine with MolForge

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Related Compounds

6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 42613649
6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507485
6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507502
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide
CID 42613361
N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935530
N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
CID 52944867
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507868
5-[6-(methoxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 71012387
N-[6-(6-amino-5-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507749
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285
N-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935575

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine?
The IUPAC name of N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine (CID 91139873) is N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine.
What is the SMILES notation for N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine?
The canonical SMILES for N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine is Cc1c(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)[nH]c2ccccc12.
What is the InChIKey of N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine?
The InChIKey is ABZHYZDWKXUKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-13-15-4-2-3-5-16(15)25-19(13)27-18-10-17(14-11-23-20(22)24-12-14)26-21(28-18)29-6-8-30-9-7-29/h2-5,10-12,25H,6-9H2,1H3,(H2,22,23,24)(H,26,27,28).
What are the key properties of N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine?
N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine has a molecular weight of 402.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine is sourced from PubChem (CID 91139873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).