(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine

C17H22N4O2S — CID 97486436

IUPAC(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine
SMILESc1cc(N2CCOCC2)nc([C@H]2COCCN2Cc2ccsc2)n1
InChIInChI=1S/C17H22N4O2S/c1-3-18-17(19-16(1)20-4-7-22-8-5-20)15-12-23-9-6-21(15)11-14-2-10-24-13-14/h1-3,10,13,15H,4-9,11-12H2/t15-/m1/s1
InChIKeyGBHWWFPVZYALJV-OAHLLOKOSA-N
MW346.46 g/mol
LogP1.95
Rot. Bonds4

About (3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine

(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine (PubChem CID 97486436) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine
PubChem CID97486436
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine
SMILESc1cc(N2CCOCC2)nc([C@H]2COCCN2Cc2ccsc2)n1
InChIInChI=1S/C17H22N4O2S/c1-3-18-17(19-16(1)20-4-7-22-8-5-20)15-12-23-9-6-21(15)11-14-2-10-24-13-14/h1-3,10,13,15H,4-9,11-12H2/t15-/m1/s1
InChIKeyGBHWWFPVZYALJV-OAHLLOKOSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155827817
4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine
CID 131640087
(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97484662
(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97486112
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
4-[(3-methoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826620
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155842670
N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486517
2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 97485536
N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 97484458

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine?
The IUPAC name of (3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine (CID 97486436) is (3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine.
What is the SMILES notation for (3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine?
The canonical SMILES for (3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine is c1cc(N2CCOCC2)nc([C@H]2COCCN2Cc2ccsc2)n1.
What is the InChIKey of (3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine?
The InChIKey is GBHWWFPVZYALJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-3-18-17(19-16(1)20-4-7-22-8-5-20)15-12-23-9-6-21(15)11-14-2-10-24-13-14/h1-3,10,13,15H,4-9,11-12H2/t15-/m1/s1.
What are the key properties of (3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine?
(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine has a molecular weight of 346.46 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine is sourced from PubChem (CID 97486436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).