(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone

C13H19N3O2 — CID 100752745

IUPAC(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-9(2)12-14-8-11(10(3)15-12)13(17)16-4-6-18-7-5-16/h8-9H,4-7H2,1-3H3
InChIKeyHYHLNZFQOJFPDI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.38
Rot. Bonds2

About (4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone

(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone (PubChem CID 100752745) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone
PubChem CID100752745
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C13H19N3O2/c1-9(2)12-14-8-11(10(3)15-12)13(17)16-4-6-18-7-5-16/h8-9H,4-7H2,1-3H3
InChIKeyHYHLNZFQOJFPDI-UHFFFAOYSA-N
XLogP1.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 100752713
[(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 95722992
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 50957957
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 70739896
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 118792373
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62061026
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95728129
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70732353
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56753171
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 56915501
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95223658

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone (CID 100752745) is (4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone is Cc1nc(C(C)C)ncc1C(=O)N1CCOCC1.
What is the InChIKey of (4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone?
The InChIKey is HYHLNZFQOJFPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)12-14-8-11(10(3)15-12)13(17)16-4-6-18-7-5-16/h8-9H,4-7H2,1-3H3.
What are the key properties of (4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone?
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone has a molecular weight of 249.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 100752745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).