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

C23H26N8O3 — CID 118638087

IUPACN-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)C1CC(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C23H26N8O3/c1-30(21(32)15-3-2-4-25-12-15)17-9-18(10-17)34-20-11-19(16-13-26-22(24)27-14-16)28-23(29-20)31-5-7-33-8-6-31/h2-4,11-14,17-18H,5-10H2,1H3,(H2,24,26,27)
InChIKeyFVWPYVLGZKNDKA-UHFFFAOYSA-N
MW462.51 g/mol
LogP1.43
Rot. Bonds6

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

N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide (PubChem CID 118638087) has the molecular formula C23H26N8O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide
PubChem CID118638087
Molecular FormulaC23H26N8O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC NameN-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1)C1CC(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C23H26N8O3/c1-30(21(32)15-3-2-4-25-12-15)17-9-18(10-17)34-20-11-19(16-13-26-22(24)27-14-16)28-23(29-20)31-5-7-33-8-6-31/h2-4,11-14,17-18H,5-10H2,1H3,(H2,24,26,27)
InChIKeyFVWPYVLGZKNDKA-UHFFFAOYSA-N
XLogP1.43
TPSA132.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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
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)-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-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
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
5-[6-[4-[(dimethylamino)methyl]phenoxy]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42613036
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 67004771
5-[6-(methoxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 71012387
5-[6-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 42612961

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide (CID 118638087) is N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide is CN(C(=O)c1cccnc1)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]-N-methylpyridine-3-carboxamide?
The InChIKey is FVWPYVLGZKNDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O3/c1-30(21(32)15-3-2-4-25-12-15)17-9-18(10-17)34-20-11-19(16-13-26-22(24)27-14-16)28-23(29-20)31-5-7-33-8-6-31/h2-4,11-14,17-18H,5-10H2,1H3,(H2,24,26,27).
What are the key properties of N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide?
N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylpyridine-3-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 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]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 118638087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).