[(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

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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).