5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H21N5S — CID 45353356

IUPAC5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(c2ccc(C(C)C)cc2)c2cccs2)n2ncnc2n1
InChIInChI=1S/C20H21N5S/c1-13(2)15-6-8-16(9-7-15)19(17-5-4-10-26-17)24-18-11-14(3)23-20-21-12-22-25(18)20/h4-13,19,24H,1-3H3
InChIKeyMIWBXGSWGPXZBP-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.82
Rot. Bonds5

About 5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 45353356) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is 5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID45353356
Molecular FormulaC20H21N5S
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC Name5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(c2ccc(C(C)C)cc2)c2cccs2)n2ncnc2n1
InChIInChI=1S/C20H21N5S/c1-13(2)15-6-8-16(9-7-15)19(17-5-4-10-26-17)24-18-11-14(3)23-20-21-12-22-25(18)20/h4-13,19,24H,1-3H3
InChIKeyMIWBXGSWGPXZBP-UHFFFAOYSA-N
XLogP4.82
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 45354992
N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51927775
N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32678340
N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99801280
N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 94819136
5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63091597
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
N-[(1R)-1-(4-chlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039564
N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133305067
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18109327
5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133299717
1-(4-chlorophenyl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,3-diol
CID 126837790

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 45353356) is 5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(c2ccc(C(C)C)cc2)c2cccs2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MIWBXGSWGPXZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c1-13(2)15-6-8-16(9-7-15)19(17-5-4-10-26-17)24-18-11-14(3)23-20-21-12-22-25(18)20/h4-13,19,24H,1-3H3.
What are the key properties of 5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 363.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 45353356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).