2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one

C15H19N3O2S — CID 137168586

IUPAC2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2COCCN2Cc2sccc2C)cc(=O)[nH]1
InChIInChI=1S/C15H19N3O2S/c1-10-3-6-21-14(10)8-18-4-5-20-9-13(18)12-7-15(19)17-11(2)16-12/h3,6-7,13H,4-5,8-9H2,1-2H3,(H,16,17,19)/t13-/m1/s1
InChIKeyJAZWHUBSQIXAFT-CYBMUJFWSA-N
MW305.40 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one (PubChem CID 137168586) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
PubChem CID137168586
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2COCCN2Cc2sccc2C)cc(=O)[nH]1
InChIInChI=1S/C15H19N3O2S/c1-10-3-6-21-14(10)8-18-4-5-20-9-13(18)12-7-15(19)17-11(2)16-12/h3,6-7,13H,4-5,8-9H2,1-2H3,(H,16,17,19)/t13-/m1/s1
InChIKeyJAZWHUBSQIXAFT-CYBMUJFWSA-N
XLogP2.02
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137030456
2-methyl-4-[4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844603
2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844600
2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844568
4-[(3S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137140075
2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137145685
4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137052983
2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149663
4-[(3R)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137149613
2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 74243764
4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844622
2-methyl-4-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one (CID 137168586) is 2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one is Cc1nc([C@H]2COCCN2Cc2sccc2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is JAZWHUBSQIXAFT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-3-6-21-14(10)8-18-4-5-20-9-13(18)12-7-15(19)17-11(2)16-12/h3,6-7,13H,4-5,8-9H2,1-2H3,(H,16,17,19)/t13-/m1/s1.
What are the key properties of 2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 305.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137168586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).