[(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone

C18H27N5O3 — CID 95722992

IUPAC[(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCNC[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H27N5O3/c1-12(2)16-20-10-14(13(3)21-16)17(24)23-5-4-19-11-15(23)18(25)22-6-8-26-9-7-22/h10,12,15,19H,4-9,11H2,1-3H3/t15-/m1/s1
InChIKeyAPXBHASFGQNANQ-OAHLLOKOSA-N
MW361.45 g/mol
LogP0.18
Rot. Bonds3

About [(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone

[(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 95722992) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is [(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
PubChem CID95722992
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name[(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCNC[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H27N5O3/c1-12(2)16-20-10-14(13(3)21-16)17(24)23-5-4-19-11-15(23)18(25)22-6-8-26-9-7-22/h10,12,15,19H,4-9,11H2,1-3H3/t15-/m1/s1
InChIKeyAPXBHASFGQNANQ-OAHLLOKOSA-N
XLogP0.18
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone
CID 100752745
[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 56891270
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 118792373
[(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone
CID 95720314
(4-methylpiperidin-1-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 100752713
[(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 95718120
2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 95724884
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 56887679
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 50957957
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95728129
(2,4-dimethylpyrimidin-5-yl)-[2-(trifluoromethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 172894959
[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 70739896

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone (CID 95722992) is [(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone is Cc1nc(C(C)C)ncc1C(=O)N1CCNC[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of [(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is APXBHASFGQNANQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-12(2)16-20-10-14(13(3)21-16)17(24)23-5-4-19-11-15(23)18(25)22-6-8-26-9-7-22/h10,12,15,19H,4-9,11H2,1-3H3/t15-/m1/s1.
What are the key properties of [(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
[(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95722992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).