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

C20H27N7O4 — CID 118638061

IUPACpropan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate
SMILESCC(C)OC(=O)NC1CC(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C20H27N7O4/c1-12(2)30-20(28)24-14-7-15(8-14)31-17-9-16(13-10-22-18(21)23-11-13)25-19(26-17)27-3-5-29-6-4-27/h9-12,14-15H,3-8H2,1-2H3,(H,24,28)(H2,21,22,23)
InChIKeyGISMAIPEBKPPPG-UHFFFAOYSA-N
MW429.48 g/mol
LogP1.40
Rot. Bonds6

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

propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate (PubChem CID 118638061) has the molecular formula C20H27N7O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate
PubChem CID118638061
Molecular FormulaC20H27N7O4
Molecular Weight429.48 g/mol
Exact Mass429.21
IUPAC Namepropan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate
SMILESCC(C)OC(=O)NC1CC(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C20H27N7O4/c1-12(2)30-20(28)24-14-7-15(8-14)31-17-9-16(13-10-22-18(21)23-11-13)25-19(26-17)27-3-5-29-6-4-27/h9-12,14-15H,3-8H2,1-2H3,(H,24,28)(H2,21,22,23)
InChIKeyGISMAIPEBKPPPG-UHFFFAOYSA-N
XLogP1.40
TPSA137.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

(2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide
CID 118638278
1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-1,3,3-trimethylurea
CID 118637874
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
propan-2-yl (3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507583
2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide
CID 42613361
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285
N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide
CID 118638329
2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide
CID 118637863
5-[6-(methoxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 71012387
5-[6-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 68918086

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate?
The IUPAC name of propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate (CID 118638061) is propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate is CC(C)OC(=O)NC1CC(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1.
What is the InChIKey of propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate?
The InChIKey is GISMAIPEBKPPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O4/c1-12(2)30-20(28)24-14-7-15(8-14)31-17-9-16(13-10-22-18(21)23-11-13)25-19(26-17)27-3-5-29-6-4-27/h9-12,14-15H,3-8H2,1-2H3,(H,24,28)(H2,21,22,23).
What are the key properties of propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate?
propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate has a molecular weight of 429.48 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate is sourced from PubChem (CID 118638061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).