[(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone

C18H23N7O2 — CID 139580340

IUPAC[(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cnccn2)nc1)N1CC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C18H23N7O2/c26-17(25-4-1-16(13-25)24-5-7-27-8-6-24)14-9-21-18(22-10-14)23-12-15-11-19-2-3-20-15/h2-3,9-11,16H,1,4-8,12-13H2,(H,21,22,23)/t16-/m1/s1
InChIKeyCKDFETILLKCIFU-MRXNPFEDSA-N
MW369.43 g/mol
LogP0.43
Rot. Bonds5

About [(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone

[(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 139580340) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is [(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID139580340
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name[(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cnccn2)nc1)N1CC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C18H23N7O2/c26-17(25-4-1-16(13-25)24-5-7-27-8-6-24)14-9-21-18(22-10-14)23-12-15-11-19-2-3-20-15/h2-3,9-11,16H,1,4-8,12-13H2,(H,21,22,23)/t16-/m1/s1
InChIKeyCKDFETILLKCIFU-MRXNPFEDSA-N
XLogP0.43
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 134177597
(3-morpholin-4-ylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63174828
[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119858151
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109252034
8-oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 139580419
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
(2-propan-2-ylpyrimidin-5-yl)-[(6R)-6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124950185
[6-(cyclopropylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742496
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone
CID 95226251
(4-amino-1H-pyrazol-5-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168261
[6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56863885

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of [(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone (CID 139580340) is [(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for [(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for [(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone is O=C(c1cnc(NCc2cnccn2)nc1)N1CC[C@@H](N2CCOCC2)C1.
What is the InChIKey of [(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is CKDFETILLKCIFU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N7O2/c26-17(25-4-1-16(13-25)24-5-7-27-8-6-24)14-9-21-18(22-10-14)23-12-15-11-19-2-3-20-15/h2-3,9-11,16H,1,4-8,12-13H2,(H,21,22,23)/t16-/m1/s1.
What are the key properties of [(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone?
[(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).