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

C16H21N3OS — CID 66098661

IUPACN-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(CSc2ccccc2C)n1
InChIInChI=1S/C16H21N3OS/c1-4-17-15-9-13(10-20-3)18-16(19-15)11-21-14-8-6-5-7-12(14)2/h5-9H,4,10-11H2,1-3H3,(H,17,18,19)
InChIKeyFARMJGASGAODKZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.66
Rot. Bonds7

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

N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (PubChem CID 66098661) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
PubChem CID66098661
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(CSc2ccccc2C)n1
InChIInChI=1S/C16H21N3OS/c1-4-17-15-9-13(10-20-3)18-16(19-15)11-21-14-8-6-5-7-12(14)2/h5-9H,4,10-11H2,1-3H3,(H,17,18,19)
InChIKeyFARMJGASGAODKZ-UHFFFAOYSA-N
XLogP3.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
N-ethyl-6-(methoxymethyl)-2-(2-methylpropyl)pyrimidin-4-amine
CID 62319502
6-(methoxymethyl)-N-methyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 65143448
2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 65144656
6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 55062684
4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine
CID 66094645
N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66097398
5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66302205
2-[(3-chlorophenyl)methyl]-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320406
[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66086445
6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66051940
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine (CID 66098661) is N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is CCNc1cc(COC)nc(CSc2ccccc2C)n1.
What is the InChIKey of N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
The InChIKey is FARMJGASGAODKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-17-15-9-13(10-20-3)18-16(19-15)11-21-14-8-6-5-7-12(14)2/h5-9H,4,10-11H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine?
N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine has a molecular weight of 303.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 66098661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).