N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

C13H17N3S2 — CID 80990087

IUPACN,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Sc2cccs2)c1C
InChIInChI=1S/C13H17N3S2/c1-4-10-15-12(14-5-2)9(3)13(16-10)18-11-7-6-8-17-11/h6-8H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyYNQRHDQOMCBINC-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.99
Rot. Bonds5

About N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine

N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80990087) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
PubChem CID80990087
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC NameN,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Sc2cccs2)c1C
InChIInChI=1S/C13H17N3S2/c1-4-10-15-12(14-5-2)9(3)13(16-10)18-11-7-6-8-17-11/h6-8H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyYNQRHDQOMCBINC-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

4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine
CID 80978184
N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80991399
N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991094
N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991279
2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80990475
2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990970
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80995753
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
N-ethyl-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80989868
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179
2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80990587

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (CID 80990087) is N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is CCNc1nc(CC)nc(Sc2cccs2)c1C.
What is the InChIKey of N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is YNQRHDQOMCBINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-4-10-15-12(14-5-2)9(3)13(16-10)18-11-7-6-8-17-11/h6-8H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
N,2-diethyl-5-methyl-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,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80990087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).