2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine

C16H17N3OS — CID 62188361

IUPAC2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c(OCc2nc(N)c3ccsc3n2)c(C)c1
InChIInChI=1S/C16H17N3OS/c1-9-6-10(2)14(11(3)7-9)20-8-13-18-15(17)12-4-5-21-16(12)19-13/h4-7H,8H2,1-3H3,(H2,17,18,19)
InChIKeyKTZRDNILXYWOSN-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.78
Rot. Bonds3

About 2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine

2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62188361) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62188361
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c(OCc2nc(N)c3ccsc3n2)c(C)c1
InChIInChI=1S/C16H17N3OS/c1-9-6-10(2)14(11(3)7-9)20-8-13-18-15(17)12-4-5-21-16(12)19-13/h4-7H,8H2,1-3H3,(H2,17,18,19)
InChIKeyKTZRDNILXYWOSN-UHFFFAOYSA-N
XLogP3.78
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62194594
2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193500
2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193520
2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 55130279
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62187776
4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 63479626
2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62193252
6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine
CID 80503710
2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55086666
2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62766247
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 114157912

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62188361) is 2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc(C)c(OCc2nc(N)c3ccsc3n2)c(C)c1.
What is the InChIKey of 2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KTZRDNILXYWOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-9-6-10(2)14(11(3)7-9)20-8-13-18-15(17)12-4-5-21-16(12)19-13/h4-7H,8H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62188361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).