6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

C15H20N4OS — CID 80773948

IUPAC6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cccc(OC)c2)nc(SC)n1
InChIInChI=1S/C15H20N4OS/c1-4-16-13-9-14(19-15(18-13)21-3)17-10-11-6-5-7-12(8-11)20-2/h5-9H,4,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyDASDSKYLDUVZBA-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.25
Rot. Bonds7

About 6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80773948) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80773948
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cccc(OC)c2)nc(SC)n1
InChIInChI=1S/C15H20N4OS/c1-4-16-13-9-14(19-15(18-13)21-3)17-10-11-6-5-7-12(8-11)20-2/h5-9H,4,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyDASDSKYLDUVZBA-UHFFFAOYSA-N
XLogP3.25
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
4-N-(2-chloro-5-methoxyphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80791950
6-N-ethyl-2-methylsulfanyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80775330
6-N-ethyl-4-N-[(2-ethylphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826768
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80776127
[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266696
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
6-N-ethyl-4-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765455

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (CID 80773948) is 6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is CCNc1cc(NCc2cccc(OC)c2)nc(SC)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is DASDSKYLDUVZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-16-13-9-14(19-15(18-13)21-3)17-10-11-6-5-7-12(8-11)20-2/h5-9H,4,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 304.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80773948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).