2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline

C16H17N3OS — CID 65217084

IUPAC2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
SMILESCc1cc(Oc2ncnc3sccc23)c(C(C)C)cc1N
InChIInChI=1S/C16H17N3OS/c1-9(2)12-7-13(17)10(3)6-14(12)20-15-11-4-5-21-16(11)19-8-18-15/h4-9H,17H2,1-3H3
InChIKeyYYFXOQLROJTYIS-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.50
Rot. Bonds3

About 2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline

2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline (PubChem CID 65217084) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
PubChem CID65217084
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
SMILESCc1cc(Oc2ncnc3sccc23)c(C(C)C)cc1N
InChIInChI=1S/C16H17N3OS/c1-9(2)12-7-13(17)10(3)6-14(12)20-15-11-4-5-21-16(11)19-8-18-15/h4-9H,17H2,1-3H3
InChIKeyYYFXOQLROJTYIS-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 63181014
4-(5-chloropyrimidin-4-yl)oxy-2-methyl-5-propan-2-ylaniline
CID 105369793
4-(5-iodopyrimidin-4-yl)oxy-2-methyl-5-propan-2-ylaniline
CID 66339755
4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
CID 2399341
2-methyl-4-[(3-methyl-4-pyridinyl)oxy]-5-propan-2-ylaniline
CID 65216967
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]thieno[2,3-d]pyrimidine
CID 23156574
2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline
CID 65216802
3-fluoro-2-thieno[2,3-d]pyrimidin-4-yloxyaniline
CID 104832082
3-thieno[2,3-d]pyrimidin-4-yloxynaphthalen-2-ol
CID 60871060
ethyl 3,5-dichloro-4-thieno[2,3-d]pyrimidin-4-yloxybenzoate
CID 4830116
2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 107672534
4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline?
The IUPAC name of 2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline (CID 65217084) is 2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline.
What is the SMILES notation for 2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline?
The canonical SMILES for 2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline is Cc1cc(Oc2ncnc3sccc23)c(C(C)C)cc1N.
What is the InChIKey of 2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline?
The InChIKey is YYFXOQLROJTYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-9(2)12-7-13(17)10(3)6-14(12)20-15-11-4-5-21-16(11)19-8-18-15/h4-9H,17H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline?
2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline has a molecular weight of 299.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-4-thieno[2,3-d]pyrimidin-4-yloxyaniline is sourced from PubChem (CID 65217084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).