N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine

C14H19N5S — CID 80891327

IUPACN-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C14H19N5S/c1-6-15-13-16-8(2)7-12(19-13)20-14-17-10(4)9(3)11(5)18-14/h7H,6H2,1-5H3,(H,15,16,19)
InChIKeyGNQQRQRXBNBCDJ-UHFFFAOYSA-N
MW289.41 g/mol
LogP3.08
Rot. Bonds4

About N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine

N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80891327) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80891327
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC NameN-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C14H19N5S/c1-6-15-13-16-8(2)7-12(19-13)20-14-17-10(4)9(3)11(5)18-14/h7H,6H2,1-5H3,(H,15,16,19)
InChIKeyGNQQRQRXBNBCDJ-UHFFFAOYSA-N
XLogP3.08
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-6-methylpyrimidin-2-yl] N,N-dimethylcarbamodithioate
CID 27377914
4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine
CID 80884832
N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
CID 80892125
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80892286
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine
CID 103291463
2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80890698
1-ethyl-3-(4-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-2-yl)thiourea
CID 100774324
4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895254
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine
CID 80890961
[4-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80923071
4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine
CID 80888720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (CID 80891327) is N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is CCNc1nc(C)cc(Sc2nc(C)c(C)c(C)n2)n1.
What is the InChIKey of N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is GNQQRQRXBNBCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-6-15-13-16-8(2)7-12(19-13)20-14-17-10(4)9(3)11(5)18-14/h7H,6H2,1-5H3,(H,15,16,19).
What are the key properties of N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 289.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80891327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).