4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine

C16H23N7S — CID 125138768

IUPAC4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine
SMILESCn1cnnc1[C@H]1CCCN(c2cc(N3CCSCC3)ncn2)C1
InChIInChI=1S/C16H23N7S/c1-21-12-19-20-16(21)13-3-2-4-23(10-13)15-9-14(17-11-18-15)22-5-7-24-8-6-22/h9,11-13H,2-8,10H2,1H3/t13-/m0/s1
InChIKeyDJGCPQUTPOXBOW-ZDUSSCGKSA-N
MW345.48 g/mol
LogP1.54
Rot. Bonds3

About 4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine

4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine (PubChem CID 125138768) has the molecular formula C16H23N7S and a molecular weight of 345.48 g/mol. Its IUPAC name is 4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine
PubChem CID125138768
Molecular FormulaC16H23N7S
Molecular Weight345.48 g/mol
Exact Mass345.17
IUPAC Name4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine
SMILESCn1cnnc1[C@H]1CCCN(c2cc(N3CCSCC3)ncn2)C1
InChIInChI=1S/C16H23N7S/c1-21-12-19-20-16(21)13-3-2-4-23(10-13)15-9-14(17-11-18-15)22-5-7-24-8-6-22/h9,11-13H,2-8,10H2,1H3/t13-/m0/s1
InChIKeyDJGCPQUTPOXBOW-ZDUSSCGKSA-N
XLogP1.54
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine with MolForge

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Related Compounds

4-methyl-6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]pyrimidine
CID 95842094
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine
CID 122138214
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine
CID 51108750
3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 133290557
2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774237
5-(4-fluorophenyl)-4-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 38874512
3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 42956348
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 136568235
4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70724784
4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 133485999
[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 95763979

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine?
The IUPAC name of 4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine (CID 125138768) is 4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine is Cn1cnnc1[C@H]1CCCN(c2cc(N3CCSCC3)ncn2)C1.
What is the InChIKey of 4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine?
The InChIKey is DJGCPQUTPOXBOW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N7S/c1-21-12-19-20-16(21)13-3-2-4-23(10-13)15-9-14(17-11-18-15)22-5-7-24-8-6-22/h9,11-13H,2-8,10H2,1H3/t13-/m0/s1.
What are the key properties of 4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine?
4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine has a molecular weight of 345.48 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine is sourced from PubChem (CID 125138768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).