N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride

C14H22ClN7S — CID 154910207

IUPACN,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride
SMILESCN(C)c1cc(Sc2nnc(C3CCNCC3)n2C)ncn1.Cl
InChIInChI=1S/C14H21N7S.ClH/c1-20(2)11-8-12(17-9-16-11)22-14-19-18-13(21(14)3)10-4-6-15-7-5-10;/h8-10,15H,4-7H2,1-3H3;1H
InChIKeyBRCOVBBOHNWYMR-UHFFFAOYSA-N
MW355.90 g/mol
LogP1.71
Rot. Bonds4

About N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride

N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride (PubChem CID 154910207) has the molecular formula C14H22ClN7S and a molecular weight of 355.90 g/mol. Its IUPAC name is N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride
PubChem CID154910207
Molecular FormulaC14H22ClN7S
Molecular Weight355.90 g/mol
Exact Mass355.13
IUPAC NameN,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride
SMILESCN(C)c1cc(Sc2nnc(C3CCNCC3)n2C)ncn1.Cl
InChIInChI=1S/C14H21N7S.ClH/c1-20(2)11-8-12(17-9-16-11)22-14-19-18-13(21(14)3)10-4-6-15-7-5-10;/h8-10,15H,4-7H2,1-3H3;1H
InChIKeyBRCOVBBOHNWYMR-UHFFFAOYSA-N
XLogP1.71
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.90
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-[[6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]amino]ethanol
CID 122559559
N-ethyl-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride
CID 154910611
3-fluoro-2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 122572178
2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride
CID 154908241
2-methyl-5-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazine;hydrochloride
CID 154904115
4-[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]piperidine;hydrochloride
CID 154906774
N-methyl-4-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine;dihydrochloride
CID 154906794
4-[5-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 126436494
4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrate;dihydrochloride
CID 75531205
4-[(5-piperidin-4-yl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine
CID 122137243
acetic acid;3-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 154906346
3-ethyl-5-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,5-dihydro-1,2-oxazole;hydrochloride
CID 154905837

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride (CID 154910207) is N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride is CN(C)c1cc(Sc2nnc(C3CCNCC3)n2C)ncn1.Cl.
What is the InChIKey of N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride?
The InChIKey is BRCOVBBOHNWYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7S.ClH/c1-20(2)11-8-12(17-9-16-11)22-14-19-18-13(21(14)3)10-4-6-15-7-5-10;/h8-10,15H,4-7H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride?
N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride has a molecular weight of 355.90 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 154910207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).