5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine

C15H18IN3OS — CID 66302205

IUPAC5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCNc1nc(CSc2ccccc2C)nc(COC)c1I
InChIInChI=1S/C15H18IN3OS/c1-10-6-4-5-7-12(10)21-9-13-18-11(8-20-3)14(16)15(17-2)19-13/h4-7H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyWHSHDCJHKAMWPG-UHFFFAOYSA-N
MW415.30 g/mol
LogP3.87
Rot. Bonds6

About 5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine

5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 66302205) has the molecular formula C15H18IN3OS and a molecular weight of 415.30 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID66302205
Molecular FormulaC15H18IN3OS
Molecular Weight415.30 g/mol
Exact Mass415.02
IUPAC Name5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCNc1nc(CSc2ccccc2C)nc(COC)c1I
InChIInChI=1S/C15H18IN3OS/c1-10-6-4-5-7-12(10)21-9-13-18-11(8-20-3)14(16)15(17-2)19-13/h4-7H,8-9H2,1-3H3,(H,17,18,19)
InChIKeyWHSHDCJHKAMWPG-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66303641
5-iodo-6-(methoxymethyl)-N-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66301999
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302611
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66098036
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306504
2-[(2-bromophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307296
5-iodo-6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 66301389
N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66098661
5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66304459
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472306
5-iodo-6-(methoxymethyl)-N-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66296431
1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine
CID 66096153

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (CID 66302205) is 5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is CNc1nc(CSc2ccccc2C)nc(COC)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is WHSHDCJHKAMWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3OS/c1-10-6-4-5-7-12(10)21-9-13-18-11(8-20-3)14(16)15(17-2)19-13/h4-7H,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 415.30 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 66302205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).