N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide

C23H33N7O4 — CID 118637862

IUPACN-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide
SMILESCN(C(=O)C(O)C(C)(C)C)C1CC(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C23H33N7O4/c1-23(2,3)19(31)20(32)29(4)15-9-16(10-15)34-18-11-17(14-12-25-21(24)26-13-14)27-22(28-18)30-5-7-33-8-6-30/h11-13,15-16,19,31H,5-10H2,1-4H3,(H2,24,25,26)
InChIKeyDTVQYKBONXBTFS-UHFFFAOYSA-N
MW471.56 g/mol
LogP1.13
Rot. Bonds6

About N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide

N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide (PubChem CID 118637862) has the molecular formula C23H33N7O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide
PubChem CID118637862
Molecular FormulaC23H33N7O4
Molecular Weight471.56 g/mol
Exact Mass471.26
IUPAC NameN-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide
SMILESCN(C(=O)C(O)C(C)(C)C)C1CC(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C23H33N7O4/c1-23(2,3)19(31)20(32)29(4)15-9-16(10-15)34-18-11-17(14-12-25-21(24)26-13-14)27-22(28-18)30-5-7-33-8-6-30/h11-13,15-16,19,31H,5-10H2,1-4H3,(H2,24,25,26)
InChIKeyDTVQYKBONXBTFS-UHFFFAOYSA-N
XLogP1.13
TPSA139.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 51.13
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]-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 N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate
CID 118638061
2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide
CID 118637863
N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide
CID 118638329
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285
5-[6-[4-[(dimethylamino)methyl]phenoxy]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42613036
2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide
CID 42613361
5-[6-(methoxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 71012387
6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 42613650

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide?
The IUPAC name of N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide (CID 118637862) is N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide?
The canonical SMILES for N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide is CN(C(=O)C(O)C(C)(C)C)C1CC(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1.
What is the InChIKey of N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide?
The InChIKey is DTVQYKBONXBTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O4/c1-23(2,3)19(31)20(32)29(4)15-9-16(10-15)34-18-11-17(14-12-25-21(24)26-13-14)27-22(28-18)30-5-7-33-8-6-30/h11-13,15-16,19,31H,5-10H2,1-4H3,(H2,24,25,26).
What are the key properties of N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide?
N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide has a molecular weight of 471.56 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide is sourced from PubChem (CID 118637862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).