2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide

C15H20N8O2 — CID 42613361

IUPAC2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(-c2cnc(N)nc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H20N8O2/c1-17-13(24)9-18-12-6-11(10-7-19-14(16)20-8-10)21-15(22-12)23-2-4-25-5-3-23/h6-8H,2-5,9H2,1H3,(H,17,24)(H2,16,19,20)(H,18,21,22)
InChIKeyLBYYVUKYUMXZTL-UHFFFAOYSA-N
MW344.38 g/mol
LogP-0.49
Rot. Bonds5

About 2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide

2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide (PubChem CID 42613361) has the molecular formula C15H20N8O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide
PubChem CID42613361
Molecular FormulaC15H20N8O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(-c2cnc(N)nc2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H20N8O2/c1-17-13(24)9-18-12-6-11(10-7-19-14(16)20-8-10)21-15(22-12)23-2-4-25-5-3-23/h6-8H,2-5,9H2,1H3,(H,17,24)(H2,16,19,20)(H,18,21,22)
InChIKeyLBYYVUKYUMXZTL-UHFFFAOYSA-N
XLogP-0.49
TPSA131.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507502
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
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285
5-[6-(methoxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 71012387
2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol
CID 71177798
N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-3-methyl-1H-indol-2-amine
CID 91139873
5-[6-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42613997
6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 42613650
1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-1,3,3-trimethylurea
CID 118637874
6-[[2-(cyclopentylamino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 68517206
propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate
CID 118638061

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide (CID 42613361) is 2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide is CNC(=O)CNc1cc(-c2cnc(N)nc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide?
The InChIKey is LBYYVUKYUMXZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8O2/c1-17-13(24)9-18-12-6-11(10-7-19-14(16)20-8-10)21-15(22-12)23-2-4-25-5-3-23/h6-8H,2-5,9H2,1H3,(H,17,24)(H2,16,19,20)(H,18,21,22).
What are the key properties of 2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide?
2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide has a molecular weight of 344.38 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide is sourced from PubChem (CID 42613361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).