N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

C13H17N3S2 — CID 80991399

IUPACN,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(Sc2cccs2)n1
InChIInChI=1S/C13H17N3S2/c1-4-6-10-15-12(14-3)9(2)13(16-10)18-11-7-5-8-17-11/h5,7-8H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyIZRTUWJABHQMNR-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.99
Rot. Bonds5

About N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80991399) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
PubChem CID80991399
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC NameN,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCCCc1nc(NC)c(C)c(Sc2cccs2)n1
InChIInChI=1S/C13H17N3S2/c1-4-6-10-15-12(14-3)9(2)13(16-10)18-11-7-5-8-17-11/h5,7-8H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyIZRTUWJABHQMNR-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990087
4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine
CID 80978184
6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991285
6-[(2-chlorophenyl)methylsulfanyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 103291510
N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
CID 80977443
2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990970
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81000777
N-ethyl-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80989868
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine
CID 80979033
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001570

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (CID 80991399) is N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is CCCc1nc(NC)c(C)c(Sc2cccs2)n1.
What is the InChIKey of N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is IZRTUWJABHQMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-4-6-10-15-12(14-3)9(2)13(16-10)18-11-7-5-8-17-11/h5,7-8H,4,6H2,1-3H3,(H,14,15,16).
What are the key properties of N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80991399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).