N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine

C14H17N3OS — CID 80654624

IUPACN,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2ccccc2SC)n1
InChIInChI=1S/C14H17N3OS/c1-10-8-13(15-2)17-14(16-10)9-18-11-6-4-5-7-12(11)19-3/h4-8H,9H2,1-3H3,(H,15,16,17)
InChIKeyBQPBLBBAMFECKZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.13
Rot. Bonds5

About N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine

N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine (PubChem CID 80654624) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine
PubChem CID80654624
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2ccccc2SC)n1
InChIInChI=1S/C14H17N3OS/c1-10-8-13(15-2)17-14(16-10)9-18-11-6-4-5-7-12(11)19-3/h4-8H,9H2,1-3H3,(H,15,16,17)
InChIKeyBQPBLBBAMFECKZ-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine (CID 80654624) is N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine is CNc1cc(C)nc(COc2ccccc2SC)n1.
What is the InChIKey of N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine?
The InChIKey is BQPBLBBAMFECKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-8-13(15-2)17-14(16-10)9-18-11-6-4-5-7-12(11)19-3/h4-8H,9H2,1-3H3,(H,15,16,17).
What are the key properties of N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine?
N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(2-methylsulfanylphenoxy)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80654624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).