N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

C15H22N6S — CID 126889416

IUPACN,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3nnc(C)s3)CC2)ncn1
InChIInChI=1S/C15H22N6S/c1-11-8-14(17-10-16-11)20(3)13-4-6-21(7-5-13)9-15-19-18-12(2)22-15/h8,10,13H,4-7,9H2,1-3H3
InChIKeyVLHYRXCRMFRIOG-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.05
Rot. Bonds4

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

N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126889416) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126889416
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC NameN,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3nnc(C)s3)CC2)ncn1
InChIInChI=1S/C15H22N6S/c1-11-8-14(17-10-16-11)20(3)13-4-6-21(7-5-13)9-15-19-18-12(2)22-15/h8,10,13H,4-7,9H2,1-3H3
InChIKeyVLHYRXCRMFRIOG-UHFFFAOYSA-N
XLogP2.05
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890598
N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890925
N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126889332
N,6-dimethyl-N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889450
N,6-dimethyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889406
N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889453
N-[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889379
N-[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889372
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889178
N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890525
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171996805

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126889416) is N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is Cc1cc(N(C)C2CCN(Cc3nnc(C)s3)CC2)ncn1.
What is the InChIKey of N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is VLHYRXCRMFRIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-11-8-14(17-10-16-11)20(3)13-4-6-21(7-5-13)9-15-19-18-12(2)22-15/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 318.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126889416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).