N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H22N6S — CID 133415163

IUPACN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NCCc2csc(C(C)(C)C)n2)c1C
InChIInChI=1S/C16H22N6S/c1-10-11(2)20-15-18-9-19-22(15)13(10)17-7-6-12-8-23-14(21-12)16(3,4)5/h8-9,17H,6-7H2,1-5H3
InChIKeyQUGHDEZYRUBIEB-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133415163) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133415163
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC NameN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NCCc2csc(C(C)(C)C)n2)c1C
InChIInChI=1S/C16H22N6S/c1-10-11(2)20-15-18-9-19-22(15)13(10)17-7-6-12-8-23-14(21-12)16(3,4)5/h8-9,17H,6-7H2,1-5H3
InChIKeyQUGHDEZYRUBIEB-UHFFFAOYSA-N
XLogP3.15
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine
CID 133415137
5,6-dimethyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133398642
4-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133415061
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971913
4-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133415153
2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323673
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133491662
2-[6-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273700
2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133415084
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487692
5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076184
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139009856

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133415163) is N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(NCCc2csc(C(C)(C)C)n2)c1C.
What is the InChIKey of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QUGHDEZYRUBIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-10-11(2)20-15-18-9-19-22(15)13(10)17-7-6-12-8-23-14(21-12)16(3,4)5/h8-9,17H,6-7H2,1-5H3.
What are the key properties of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 330.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133415163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).