(5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C15H21ClN4O2 — CID 95780621

IUPAC(5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCc1ncc(Cl)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1
InChIInChI=1S/C15H21ClN4O2/c1-10-8-20(9-13(10)19-3-5-22-6-4-19)15(21)14-12(16)7-17-11(2)18-14/h7,10,13H,3-6,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyYRQATAMZYJIQSM-ZWNOBZJWSA-N
MW324.81 g/mol
LogP1.23
Rot. Bonds2

About (5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

(5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 95780621) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is (5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID95780621
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name(5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCc1ncc(Cl)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1
InChIInChI=1S/C15H21ClN4O2/c1-10-8-20(9-13(10)19-3-5-22-6-4-19)15(21)14-12(16)7-17-11(2)18-14/h7,10,13H,3-6,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyYRQATAMZYJIQSM-ZWNOBZJWSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 95780593
(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 71971550
(4-ethyl-2-methylpyrimidin-5-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96996311
[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 96513290
1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 124627145
(2-fluoro-4-hydroxyphenyl)-[(3S,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97339474
(3-aminopyrazin-2-yl)-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 71871958
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79409987
(5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 166214756
(4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 125140917
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone
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(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 95780621) is (5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is Cc1ncc(Cl)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1.
What is the InChIKey of (5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is YRQATAMZYJIQSM-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-10-8-20(9-13(10)19-3-5-22-6-4-19)15(21)14-12(16)7-17-11(2)18-14/h7,10,13H,3-6,8-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
(5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 324.81 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95780621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).