4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one

C17H25N5O2 — CID 137030463

IUPAC4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCCc1ncc(CN2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)[nH]1
InChIInChI=1S/C17H25N5O2/c1-3-4-5-16-18-9-13(21-16)10-22-6-7-24-15(11-22)14-8-17(23)20-12(2)19-14/h8-9,15H,3-7,10-11H2,1-2H3,(H,18,21)(H,19,20,23)/t15-/m1/s1
InChIKeyHFTLVLRJYZEDFI-OAHLLOKOSA-N
MW331.42 g/mol
LogP1.72
Rot. Bonds6

About 4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one

4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137030463) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137030463
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCCc1ncc(CN2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)[nH]1
InChIInChI=1S/C17H25N5O2/c1-3-4-5-16-18-9-13(21-16)10-22-6-7-24-15(11-22)14-8-17(23)20-12(2)19-14/h8-9,15H,3-7,10-11H2,1-2H3,(H,18,21)(H,19,20,23)/t15-/m1/s1
InChIKeyHFTLVLRJYZEDFI-OAHLLOKOSA-N
XLogP1.72
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169722
2-methyl-4-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844397
4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844457
3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine
CID 124941563
4-[4-(2-hydroxyethyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844416
1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 124947645
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride
CID 154908850
2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168485
2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137166499
2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 137052957
2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 125025801
6-[(2-butyl-1H-imidazol-5-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942741

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (CID 137030463) is 4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is CCCCc1ncc(CN2CCO[C@@H](c3cc(=O)[nH]c(C)n3)C2)[nH]1.
What is the InChIKey of 4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HFTLVLRJYZEDFI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-4-5-16-18-9-13(21-16)10-22-6-7-24-15(11-22)14-8-17(23)20-12(2)19-14/h8-9,15H,3-7,10-11H2,1-2H3,(H,18,21)(H,19,20,23)/t15-/m1/s1.
What are the key properties of 4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 331.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137030463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).