5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine

C18H28N8S — CID 39818364

IUPAC5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCC[C@H](Cn3cc(CN4CCSCC4)nn3)C2)nc1N
InChIInChI=1S/C18H28N8S/c1-14-9-20-18(21-17(14)19)25-4-2-3-15(10-25)11-26-13-16(22-23-26)12-24-5-7-27-8-6-24/h9,13,15H,2-8,10-12H2,1H3,(H2,19,20,21)/t15-/m0/s1
InChIKeyAFNAQTLXBYTMJC-HNNXBMFYSA-N
MW388.55 g/mol
LogP1.42
Rot. Bonds5

About 5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine

5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 39818364) has the molecular formula C18H28N8S and a molecular weight of 388.55 g/mol. Its IUPAC name is 5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID39818364
Molecular FormulaC18H28N8S
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCC[C@H](Cn3cc(CN4CCSCC4)nn3)C2)nc1N
InChIInChI=1S/C18H28N8S/c1-14-9-20-18(21-17(14)19)25-4-2-3-15(10-25)11-26-13-16(22-23-26)12-24-5-7-27-8-6-24/h9,13,15H,2-8,10-12H2,1H3,(H2,19,20,21)/t15-/m0/s1
InChIKeyAFNAQTLXBYTMJC-HNNXBMFYSA-N
XLogP1.42
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine 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

5-Methyl-2-[3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 154889694
5-methyl-2-(4-{[4-(1-piperidinylmethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-piperidinyl)-4-pyrimidinamine bis(trifluoroacetate)
CID 31161829
2-N-[[1-(3-methylsulfanylpropyl)triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 167455300
6-(4-methylpiperazin-1-yl)-2-N-[[1-(3-methylsulfanylpropyl)triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 176597339
4-[4-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
CID 30881594
4-[4-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
CID 30881597
2-methyl-4-(4-{[4-(piperazin-1-ylmethyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin-1-yl)pyrimidine
CID 30881620
1-[1-(1-{[2-(ethylthio)-5-pyrimidinyl]methyl}-4-piperidinyl)-1H-1,2,3-triazol-4-yl]methanamine
CID 30897109
4-[(1-{[1-(2-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]thiomorpholine bis(trifluoroacetate)
CID 31017687
5-methyl-2-[(3R)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
CID 39818362
4-(4-{4-[(3-methyl-1-piperidinyl)methyl]-1H-1,2,3-triazol-1-yl}-1-piperidinyl)-2-pyrimidinamine bis(trifluoroacetate)
CID 45182636
5-methyl-2-(3-{[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-piperidinyl)-4-pyrimidinamine bis(trifluoroacetate)
CID 45217746

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine (CID 39818364) is 5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine is Cc1cnc(N2CCC[C@H](Cn3cc(CN4CCSCC4)nn3)C2)nc1N.
What is the InChIKey of 5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is AFNAQTLXBYTMJC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N8S/c1-14-9-20-18(21-17(14)19)25-4-2-3-15(10-25)11-26-13-16(22-23-26)12-24-5-7-27-8-6-24/h9,13,15H,2-8,10-12H2,1H3,(H2,19,20,21)/t15-/m0/s1.
What are the key properties of 5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 388.55 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3S)-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 39818364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).