4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine

C10H12N4OS — CID 164622773

IUPAC4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ncc(-c2ccnc(N(C)C)n2)s1
InChIInChI=1S/C10H12N4OS/c1-14(2)9-11-5-4-7(13-9)8-6-12-10(15-3)16-8/h4-6H,1-3H3
InChIKeyCLJMNJCFXASGOA-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.67
Rot. Bonds3

About 4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine

4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 164622773) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine
PubChem CID164622773
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ncc(-c2ccnc(N(C)C)n2)s1
InChIInChI=1S/C10H12N4OS/c1-14(2)9-11-5-4-7(13-9)8-6-12-10(15-3)16-8/h4-6H,1-3H3
InChIKeyCLJMNJCFXASGOA-UHFFFAOYSA-N
XLogP1.67
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine (CID 164622773) is 4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine is COc1ncc(-c2ccnc(N(C)C)n2)s1.
What is the InChIKey of 4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is CLJMNJCFXASGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14(2)9-11-5-4-7(13-9)8-6-12-10(15-3)16-8/h4-6H,1-3H3.
What are the key properties of 4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine?
4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 236.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-1,3-thiazol-5-yl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 164622773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).