[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone

C16H21N5O2 — CID 110105457

IUPAC[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCc1cnc(C2COCCN2C(=O)c2cnc(C(C)C)nc2)[nH]1
InChIInChI=1S/C16H21N5O2/c1-10(2)14-18-7-12(8-19-14)16(22)21-4-5-23-9-13(21)15-17-6-11(3)20-15/h6-8,10,13H,4-5,9H2,1-3H3,(H,17,20)
InChIKeyQPIOBTOVHFJFOB-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.85
Rot. Bonds3

About [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone

[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 110105457) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID110105457
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCc1cnc(C2COCCN2C(=O)c2cnc(C(C)C)nc2)[nH]1
InChIInChI=1S/C16H21N5O2/c1-10(2)14-18-7-12(8-19-14)16(22)21-4-5-23-9-13(21)15-17-6-11(3)20-15/h6-8,10,13H,4-5,9H2,1-3H3,(H,17,20)
InChIKeyQPIOBTOVHFJFOB-UHFFFAOYSA-N
XLogP1.85
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124993027
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 124996414
(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124959074
(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105547
6-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 125005017
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 110105482
1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110105531
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105409
3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 124998854

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone (CID 110105457) is [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone is Cc1cnc(C2COCCN2C(=O)c2cnc(C(C)C)nc2)[nH]1.
What is the InChIKey of [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is QPIOBTOVHFJFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)14-18-7-12(8-19-14)16(22)21-4-5-23-9-13(21)15-17-6-11(3)20-15/h6-8,10,13H,4-5,9H2,1-3H3,(H,17,20).
What are the key properties of [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone?
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 110105457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).