4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

C14H19N5S — CID 80851849

IUPAC4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCN(Cc1cccc(C)n1)c1cc(N)nc(SC)n1
InChIInChI=1S/C14H19N5S/c1-4-19(9-11-7-5-6-10(2)16-11)13-8-12(15)17-14(18-13)20-3/h5-8H,4,9H2,1-3H3,(H2,15,17,18)
InChIKeyHXJVIMYVNANTGU-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.51
Rot. Bonds5

About 4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80851849) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80851849
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCN(Cc1cccc(C)n1)c1cc(N)nc(SC)n1
InChIInChI=1S/C14H19N5S/c1-4-19(9-11-7-5-6-10(2)16-11)13-8-12(15)17-14(18-13)20-3/h5-8H,4,9H2,1-3H3,(H2,15,17,18)
InChIKeyHXJVIMYVNANTGU-UHFFFAOYSA-N
XLogP2.51
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-ethyl-6-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838856
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
CID 80652405
4-N-ethyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80774863
N-ethyl-6-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80926425
6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80947381
4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775599
2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 78994270
2-N,6-N-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,6-diamine
CID 80852067
3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 102751537
6-N-ethyl-6-N-[(6-methyl-2-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 114785682
4-N-methyl-4-N-(4-methylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817452
4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965607

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (CID 80851849) is 4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is CCN(Cc1cccc(C)n1)c1cc(N)nc(SC)n1.
What is the InChIKey of 4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is HXJVIMYVNANTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-4-19(9-11-7-5-6-10(2)16-11)13-8-12(15)17-14(18-13)20-3/h5-8H,4,9H2,1-3H3,(H2,15,17,18).
What are the key properties of 4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 289.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80851849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).