N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride

C19H30ClN5O2 — CID 154897896

IUPACN-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCCc1cc(N2C[C@H](NC(C)=O)[C@@H](C3CC3)C2)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C19H29N5O2.ClH/c1-3-15-10-18(22-19(21-15)23-6-8-26-9-7-23)24-11-16(14-4-5-14)17(12-24)20-13(2)25;/h10,14,16-17H,3-9,11-12H2,1-2H3,(H,20,25);1H/t16-,17+;/m1./s1
InChIKeyOWZJAHQPXHHONY-PPPUBMIESA-N
MW395.94 g/mol
LogP1.65
Rot. Bonds5

About N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride

N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 154897896) has the molecular formula C19H30ClN5O2 and a molecular weight of 395.94 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID154897896
Molecular FormulaC19H30ClN5O2
Molecular Weight395.94 g/mol
Exact Mass395.21
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCCc1cc(N2C[C@H](NC(C)=O)[C@@H](C3CC3)C2)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C19H29N5O2.ClH/c1-3-15-10-18(22-19(21-15)23-6-8-26-9-7-23)24-11-16(14-4-5-14)17(12-24)20-13(2)25;/h10,14,16-17H,3-9,11-12H2,1-2H3,(H,20,25);1H/t16-,17+;/m1./s1
InChIKeyOWZJAHQPXHHONY-PPPUBMIESA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-methylpiperazine-2-carboxylic acid
CID 95200887
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 72927726
4-[4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylmorpholine
CID 135116475
(3S,8aR)-2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137334835
(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
CID 95123943
N-[(3S,4R)-4-cyclopropyl-1-pyrimidin-2-ylpyrrolidin-3-yl]-4-morpholin-4-ylbutanamide
CID 133127945
N-[(3R,4S)-4-cyclopropyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-hydroxyacetamide;hydrochloride
CID 154898600
2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide
CID 72904252
2-[5-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
CID 56721548
(4S,5S)-9-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 163306327
8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 50970181
4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50962400

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride (CID 154897896) is N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride is CCc1cc(N2C[C@H](NC(C)=O)[C@@H](C3CC3)C2)nc(N2CCOCC2)n1.Cl.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is OWZJAHQPXHHONY-PPPUBMIESA-N. The full InChI is InChI=1S/C19H29N5O2.ClH/c1-3-15-10-18(22-19(21-15)23-6-8-26-9-7-23)24-11-16(14-4-5-14)17(12-24)20-13(2)25;/h10,14,16-17H,3-9,11-12H2,1-2H3,(H,20,25);1H/t16-,17+;/m1./s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride?
N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 395.94 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 154897896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).