N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

C13H18N6S — CID 95820358

IUPACN-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nncs2)cc([C@H]2CCCN(C)C2)n1
InChIInChI=1S/C13H18N6S/c1-9-15-11(10-4-3-5-19(2)7-10)6-12(16-9)17-13-18-14-8-20-13/h6,8,10H,3-5,7H2,1-2H3,(H,15,16,17,18)/t10-/m0/s1
InChIKeySEQJDUANRVKUFQ-JTQLQIEISA-N
MW290.40 g/mol
LogP2.19
Rot. Bonds3

About N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 95820358) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID95820358
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC NameN-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nncs2)cc([C@H]2CCCN(C)C2)n1
InChIInChI=1S/C13H18N6S/c1-9-15-11(10-4-3-5-19(2)7-10)6-12(16-9)17-13-18-14-8-20-13/h6,8,10H,3-5,7H2,1-2H3,(H,15,16,17,18)/t10-/m0/s1
InChIKeySEQJDUANRVKUFQ-JTQLQIEISA-N
XLogP2.19
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820356
N-[2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110269981
2-methyl-6-(1-methylpiperidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110255556
(E)-1-[3-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 132766736
1-[2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255590
N-[2-methyl-6-[(2R)-piperidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 124964440
N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95844414
N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
CID 110255655
2-amino-1-[2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110089950
N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110255678
N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820339
2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
CID 124942782

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 95820358) is N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is Cc1nc(Nc2nncs2)cc([C@H]2CCCN(C)C2)n1.
What is the InChIKey of N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SEQJDUANRVKUFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N6S/c1-9-15-11(10-4-3-5-19(2)7-10)6-12(16-9)17-13-18-14-8-20-13/h6,8,10H,3-5,7H2,1-2H3,(H,15,16,17,18)/t10-/m0/s1.
What are the key properties of N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 290.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95820358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).