1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine

C18H28N6S — CID 72853172

IUPAC1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine
SMILESCCCc1cnc(C)nc1N1CCC(NCCc2nnc(C)s2)CC1
InChIInChI=1S/C18H28N6S/c1-4-5-15-12-20-13(2)21-18(15)24-10-7-16(8-11-24)19-9-6-17-23-22-14(3)25-17/h12,16,19H,4-11H2,1-3H3
InChIKeyWVUWDMWVTKBAGE-UHFFFAOYSA-N
MW360.53 g/mol
LogP2.70
Rot. Bonds7

About 1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine

1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine (PubChem CID 72853172) has the molecular formula C18H28N6S and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine
PubChem CID72853172
Molecular FormulaC18H28N6S
Molecular Weight360.53 g/mol
Exact Mass360.21
IUPAC Name1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine
SMILESCCCc1cnc(C)nc1N1CCC(NCCc2nnc(C)s2)CC1
InChIInChI=1S/C18H28N6S/c1-4-5-15-12-20-13(2)21-18(15)24-10-7-16(8-11-24)19-9-6-17-23-22-14(3)25-17/h12,16,19H,4-11H2,1-3H3
InChIKeyWVUWDMWVTKBAGE-UHFFFAOYSA-N
XLogP2.70
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
CID 72931211
N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50972218
(3R)-N-cyclopropyl-1-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553973
4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56864292
1-(3-methyl-2-pyridinyl)-N-propylpiperidin-4-amine
CID 62252971
N-[(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 114215762
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
(3S,4S)-4-cyclopropyl-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 70761393
2-methyl-5-propyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72900364
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-amine
CID 56907871
(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 95210934
N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine
CID 114238187

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine (CID 72853172) is 1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine is CCCc1cnc(C)nc1N1CCC(NCCc2nnc(C)s2)CC1.
What is the InChIKey of 1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine?
The InChIKey is WVUWDMWVTKBAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6S/c1-4-5-15-12-20-13(2)21-18(15)24-10-7-16(8-11-24)19-9-6-17-23-22-14(3)25-17/h12,16,19H,4-11H2,1-3H3.
What are the key properties of 1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine?
1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine has a molecular weight of 360.53 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 72853172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).