(2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide

C18H18N4O2S — CID 95101895

IUPAC(2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
SMILESCc1nc(N2CCO[C@H](C(N)=O)C2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H18N4O2S/c1-11-20-17(22-7-8-24-14(10-22)16(19)23)13-9-15(25-18(13)21-11)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3,(H2,19,23)/t14-/m0/s1
InChIKeyOHVKOQULKQOIKR-AWEZNQCLSA-N
MW354.44 g/mol
LogP2.36
Rot. Bonds3

About (2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide

(2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide (PubChem CID 95101895) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is (2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
PubChem CID95101895
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name(2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
SMILESCc1nc(N2CCO[C@H](C(N)=O)C2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C18H18N4O2S/c1-11-20-17(22-7-8-24-14(10-22)16(19)23)13-9-15(25-18(13)21-11)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3,(H2,19,23)/t14-/m0/s1
InChIKeyOHVKOQULKQOIKR-AWEZNQCLSA-N
XLogP2.36
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 17491715
4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 985301
4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 4161037
4-(3-methylquinoxalin-2-yl)morpholine-2-carboxamide
CID 49432754
4-(2-thiophen-2-ylquinazolin-4-yl)morpholine-2-carboxamide
CID 49432802
(3aR,7aR)-1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-7-one
CID 97328141
4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336930
3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
CID 133416689
1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7888344
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid
CID 63617713
4-quinolin-2-ylmorpholine-2-carboxamide
CID 133278543
3-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 1191481

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide (CID 95101895) is (2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide is Cc1nc(N2CCO[C@H](C(N)=O)C2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of (2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
The InChIKey is OHVKOQULKQOIKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-20-17(22-7-8-24-14(10-22)16(19)23)13-9-15(25-18(13)21-11)12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3,(H2,19,23)/t14-/m0/s1.
What are the key properties of (2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide?
(2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 95101895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).