2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone

C19H23N5O2 — CID 97485841

IUPAC2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1
InChIInChI=1S/C19H23N5O2/c25-18(13-15-5-1-2-7-20-15)24-11-12-26-14-16(24)19-21-8-6-17(22-19)23-9-3-4-10-23/h1-2,5-8,16H,3-4,9-14H2/t16-/m1/s1
InChIKeyYWRWKUUSHLRTLG-MRXNPFEDSA-N
MW353.43 g/mol
LogP1.61
Rot. Bonds4

About 2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone

2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone (PubChem CID 97485841) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
PubChem CID97485841
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1
InChIInChI=1S/C19H23N5O2/c25-18(13-15-5-1-2-7-20-15)24-11-12-26-14-16(24)19-21-8-6-17(22-19)23-9-3-4-10-23/h1-2,5-8,16H,3-4,9-14H2/t16-/m1/s1
InChIKeyYWRWKUUSHLRTLG-MRXNPFEDSA-N
XLogP1.61
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 131642541
1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 131657943
2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131657179
1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 112537732
1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155842670
4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine
CID 131640087
(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97486112
(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide
CID 97487508
1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 131638506
2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
CID 131644722
(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97484662
4-[(3-methoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826620

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone (CID 97485841) is 2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone is O=C(Cc1ccccn1)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1.
What is the InChIKey of 2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone?
The InChIKey is YWRWKUUSHLRTLG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(13-15-5-1-2-7-20-15)24-11-12-26-14-16(24)19-21-8-6-17(22-19)23-9-3-4-10-23/h1-2,5-8,16H,3-4,9-14H2/t16-/m1/s1.
What are the key properties of 2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone?
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone has a molecular weight of 353.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 97485841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).