2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine

C11H19N3OS — CID 107765753

IUPAC2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
SMILESCCC(C)CSc1cc(N)nc(COC)n1
InChIInChI=1S/C11H19N3OS/c1-4-8(2)7-16-11-5-9(12)13-10(14-11)6-15-3/h5,8H,4,6-7H2,1-3H3,(H2,12,13,14)
InChIKeyWOVPOHUKTJYHEP-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.34
Rot. Bonds6

About 2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine

2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine (PubChem CID 107765753) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
PubChem CID107765753
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
SMILESCCC(C)CSc1cc(N)nc(COC)n1
InChIInChI=1S/C11H19N3OS/c1-4-8(2)7-16-11-5-9(12)13-10(14-11)6-15-3/h5,8H,4,6-7H2,1-3H3,(H2,12,13,14)
InChIKeyWOVPOHUKTJYHEP-UHFFFAOYSA-N
XLogP2.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80937587
6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401699
2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
CID 113495337
6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401710
2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 113401730
N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107765749
6-(2-methylpropylsulfanyl)pyrimidine-2,4-diamine
CID 80893169
6-methyl-2-(2-methylbutylsulfanylmethyl)pyrimidin-4-amine
CID 107756585
2-methyl-6-(2-methylbutylsulfanyl)pyridin-3-amine
CID 107747992
3-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 113401747
methyl 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanylacetate
CID 80937418
6-pentylsulfanyl-2-propylpyrimidin-4-amine
CID 107765305

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine (CID 107765753) is 2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine is CCC(C)CSc1cc(N)nc(COC)n1.
What is the InChIKey of 2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine?
The InChIKey is WOVPOHUKTJYHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-8(2)7-16-11-5-9(12)13-10(14-11)6-15-3/h5,8H,4,6-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine?
2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine has a molecular weight of 241.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 107765753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).