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

C14H17N3O2S — CID 137030456

IUPAC2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2COCCN2Cc2ccsc2)cc(=O)[nH]1
InChIInChI=1S/C14H17N3O2S/c1-10-15-12(6-14(18)16-10)13-8-19-4-3-17(13)7-11-2-5-20-9-11/h2,5-6,9,13H,3-4,7-8H2,1H3,(H,15,16,18)/t13-/m1/s1
InChIKeyHFBRQHBRINWRAU-CYBMUJFWSA-N
MW291.38 g/mol
LogP1.71
Rot. Bonds3

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

2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one (PubChem CID 137030456) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
PubChem CID137030456
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2COCCN2Cc2ccsc2)cc(=O)[nH]1
InChIInChI=1S/C14H17N3O2S/c1-10-15-12(6-14(18)16-10)13-8-19-4-3-17(13)7-11-2-5-20-9-11/h2,5-6,9,13H,3-4,7-8H2,1H3,(H,15,16,18)/t13-/m1/s1
InChIKeyHFBRQHBRINWRAU-CYBMUJFWSA-N
XLogP1.71
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one (CID 137030456) is 2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one is Cc1nc([C@H]2COCCN2Cc2ccsc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is HFBRQHBRINWRAU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-15-12(6-14(18)16-10)13-8-19-4-3-17(13)7-11-2-5-20-9-11/h2,5-6,9,13H,3-4,7-8H2,1H3,(H,15,16,18)/t13-/m1/s1.
What are the key properties of 2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 291.38 g/mol, XLogP of 1.71, 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-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137030456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).