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

C20H27N7O4 — CID 118638278

IUPAC(2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide
SMILESC[C@H](O)C(=O)N(C)C1CC(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C20H27N7O4/c1-12(28)18(29)26(2)14-7-15(8-14)31-17-9-16(13-10-22-19(21)23-11-13)24-20(25-17)27-3-5-30-6-4-27/h9-12,14-15,28H,3-8H2,1-2H3,(H2,21,22,23)/t12-,14?,15?/m0/s1
InChIKeyDHXODYRCPQSKAZ-GRTSSRMGSA-N
MW429.48 g/mol
LogP0.10
Rot. Bonds6

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

(2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide (PubChem CID 118638278) has the molecular formula C20H27N7O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is (2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide
PubChem CID118638278
Molecular FormulaC20H27N7O4
Molecular Weight429.48 g/mol
Exact Mass429.21
IUPAC Name(2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide
SMILESC[C@H](O)C(=O)N(C)C1CC(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C20H27N7O4/c1-12(28)18(29)26(2)14-7-15(8-14)31-17-9-16(13-10-22-19(21)23-11-13)24-20(25-17)27-3-5-30-6-4-27/h9-12,14-15,28H,3-8H2,1-2H3,(H2,21,22,23)/t12-,14?,15?/m0/s1
InChIKeyDHXODYRCPQSKAZ-GRTSSRMGSA-N
XLogP0.10
TPSA139.82 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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N,3,3-trimethylbutanamide
CID 118637862
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
propan-2-yl N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]carbamate
CID 118638061
N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methyl-1-pyrazol-1-ylcyclobutane-1-carboxamide
CID 144988826
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
propan-2-yl (3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507583
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 (2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide?
The IUPAC name of (2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide (CID 118638278) is (2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for (2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide?
The canonical SMILES for (2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide is C[C@H](O)C(=O)N(C)C1CC(Oc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)C1.
What is the InChIKey of (2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide?
The InChIKey is DHXODYRCPQSKAZ-GRTSSRMGSA-N. The full InChI is InChI=1S/C20H27N7O4/c1-12(28)18(29)26(2)14-7-15(8-14)31-17-9-16(13-10-22-19(21)23-11-13)24-20(25-17)27-3-5-30-6-4-27/h9-12,14-15,28H,3-8H2,1-2H3,(H2,21,22,23)/t12-,14?,15?/m0/s1.
What are the key properties of (2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide?
(2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide has a molecular weight of 429.48 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 118638278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).