(4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one

C19H31N5O2 — CID 95712474

IUPAC(4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1cc(N[C@@H]2CC(=O)N(CC(C)(C)C)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H31N5O2/c1-5-14-10-16(22-18(21-14)23-6-8-26-9-7-23)20-15-11-17(25)24(12-15)13-19(2,3)4/h10,15H,5-9,11-13H2,1-4H3,(H,20,21,22)/t15-/m1/s1
InChIKeyQWZBXRVWOYYQLL-OAHLLOKOSA-N
MW361.49 g/mol
LogP1.93
Rot. Bonds5

About (4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one

(4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 95712474) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID95712474
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1cc(N[C@@H]2CC(=O)N(CC(C)(C)C)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H31N5O2/c1-5-14-10-16(22-18(21-14)23-6-8-26-9-7-23)20-15-11-17(25)24(12-15)13-19(2,3)4/h10,15H,5-9,11-13H2,1-4H3,(H,20,21,22)/t15-/m1/s1
InChIKeyQWZBXRVWOYYQLL-OAHLLOKOSA-N
XLogP1.93
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one with MolForge

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Related Compounds

5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 134710911
1-(2,2-dimethylpropyl)-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 56887374
6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 50957093
3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide
CID 134706732
(2S)-2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylacetamide
CID 135106210
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 134708604
6-ethyl-2-morpholin-4-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 50969465
6-ethyl-2-morpholin-4-yl-N-[(1-phenyltetrazol-5-yl)methyl]pyrimidin-4-amine
CID 135096076
6-ethyl-2-morpholin-4-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-4-amine
CID 134698488
6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 50967293
6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 135108999
N-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 135097523

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 95712474) is (4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one is CCc1cc(N[C@@H]2CC(=O)N(CC(C)(C)C)C2)nc(N2CCOCC2)n1.
What is the InChIKey of (4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is QWZBXRVWOYYQLL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-5-14-10-16(22-18(21-14)23-6-8-26-9-7-23)20-15-11-17(25)24(12-15)13-19(2,3)4/h10,15H,5-9,11-13H2,1-4H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of (4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one?
(4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 361.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 95712474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).