6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine

C14H17N3OS — CID 66087798

IUPAC6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCOCc1cc(N)nc(CSc2cccc(C)c2)n1
InChIInChI=1S/C14H17N3OS/c1-10-4-3-5-12(6-10)19-9-14-16-11(8-18-2)7-13(15)17-14/h3-7H,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyIKYRCVBQANCWGQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.81
Rot. Bonds5

About 6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine

6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 66087798) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID66087798
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCOCc1cc(N)nc(CSc2cccc(C)c2)n1
InChIInChI=1S/C14H17N3OS/c1-10-4-3-5-12(6-10)19-9-14-16-11(8-18-2)7-13(15)17-14/h3-7H,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyIKYRCVBQANCWGQ-UHFFFAOYSA-N
XLogP2.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66086445
6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66088954
2-(ethylsulfanylmethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 65128182
6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66072317
5-bromo-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66307443
6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 65143448
4,6-dichloro-5-fluoro-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
CID 80550367
2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 66146663
5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62886010
2-[(3-methylphenyl)sulfanylmethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 66088183
N-methyl-1-[2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methanamine
CID 66088574
2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine
CID 79259714

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (CID 66087798) is 6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is COCc1cc(N)nc(CSc2cccc(C)c2)n1.
What is the InChIKey of 6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is IKYRCVBQANCWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-4-3-5-12(6-10)19-9-14-16-11(8-18-2)7-13(15)17-14/h3-7H,8-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 66087798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).