N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide

C20H27N7O3 — CID 118638329

IUPACN-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CC(Oc2nc(N3CCOCC3)nc(-c3cnc(N)nc3)c2C)C1
InChIInChI=1S/C20H27N7O3/c1-12-17(14-10-22-19(21)23-11-14)24-20(27-4-6-29-7-5-27)25-18(12)30-16-8-15(9-16)26(3)13(2)28/h10-11,15-16H,4-9H2,1-3H3,(H2,21,22,23)
InChIKeyGPVBATNBELBROP-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.05
Rot. Bonds5

About N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide

N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide (PubChem CID 118638329) has the molecular formula C20H27N7O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide
PubChem CID118638329
Molecular FormulaC20H27N7O3
Molecular Weight413.48 g/mol
Exact Mass413.22
IUPAC NameN-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CC(Oc2nc(N3CCOCC3)nc(-c3cnc(N)nc3)c2C)C1
InChIInChI=1S/C20H27N7O3/c1-12-17(14-10-22-19(21)23-11-14)24-20(27-4-6-29-7-5-27)25-18(12)30-16-8-15(9-16)26(3)13(2)28/h10-11,15-16H,4-9H2,1-3H3,(H2,21,22,23)
InChIKeyGPVBATNBELBROP-UHFFFAOYSA-N
XLogP1.05
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-1,3,3-trimethylurea
CID 118637874
(2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide
CID 118638278
N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide
CID 118637862
N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide
CID 118638087
N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methyl-1-pyrazol-1-ylcyclobutane-1-carboxamide
CID 144988826
1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
CID 59244458
3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 68917549
5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 59507556
propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate
CID 118638061
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 67385184
N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
CID 59244650
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide?
The IUPAC name of N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide (CID 118638329) is N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide?
The canonical SMILES for N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide is CC(=O)N(C)C1CC(Oc2nc(N3CCOCC3)nc(-c3cnc(N)nc3)c2C)C1.
What is the InChIKey of N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide?
The InChIKey is GPVBATNBELBROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O3/c1-12-17(14-10-22-19(21)23-11-14)24-20(27-4-6-29-7-5-27)25-18(12)30-16-8-15(9-16)26(3)13(2)28/h10-11,15-16H,4-9H2,1-3H3,(H2,21,22,23).
What are the key properties of N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide?
N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide has a molecular weight of 413.48 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide is sourced from PubChem (CID 118638329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).