2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one

C19H20N4O2 — CID 137168485

IUPAC2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-13-21-17(10-19(24)22-13)18-12-23(7-8-25-18)11-14-4-5-16-15(9-14)3-2-6-20-16/h2-6,9-10,18H,7-8,11-12H2,1H3,(H,21,22,24)/t18-/m0/s1
InChIKeyHPJXEPCFODHTFW-SFHVURJKSA-N
MW336.40 g/mol
LogP2.20
Rot. Bonds3

About 2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one

2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137168485) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137168485
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-13-21-17(10-19(24)22-13)18-12-23(7-8-25-18)11-14-4-5-16-15(9-14)3-2-6-20-16/h2-6,9-10,18H,7-8,11-12H2,1H3,(H,21,22,24)/t18-/m0/s1
InChIKeyHPJXEPCFODHTFW-SFHVURJKSA-N
XLogP2.20
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethylpyrimidin-4-yl)-4-(quinolin-6-ylmethyl)morpholine
CID 110115969
N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine
CID 110117068
4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844457
3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 110112796
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]pyridin-2-amine
CID 124953524
2-methyl-4-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844397
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-(quinolin-6-ylmethyl)morpholine
CID 125021519
2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137166499
2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
CID 132771953
2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169722
4-[4-(2-hydroxyethyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844416
2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 137052957

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one (CID 137168485) is 2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one is Cc1nc([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is HPJXEPCFODHTFW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-21-17(10-19(24)22-13)18-12-23(7-8-25-18)11-14-4-5-16-15(9-14)3-2-6-20-16/h2-6,9-10,18H,7-8,11-12H2,1H3,(H,21,22,24)/t18-/m0/s1.
What are the key properties of 2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 336.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137168485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).