4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine

C12H16N4O2S — CID 103824450

IUPAC4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCc2csc(C)n2)n1
InChIInChI=1S/C12H16N4O2S/c1-8-14-9(7-19-8)4-5-13-12-15-10(17-2)6-11(16-12)18-3/h6-7H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyBRHYXSUFILRQMK-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.91
Rot. Bonds6

About 4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine

4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 103824450) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
PubChem CID103824450
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCc2csc(C)n2)n1
InChIInChI=1S/C12H16N4O2S/c1-8-14-9(7-19-8)4-5-13-12-15-10(17-2)6-11(16-12)18-3/h6-7H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyBRHYXSUFILRQMK-UHFFFAOYSA-N
XLogP1.91
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 155538885
CID 155538885
CID 46942738
CID 46942738
CID 46948482
CID 46948482
CID 50963601
CID 50963601
CID 129613972
CID 129613972
CID 164635154
CID 164635154
CID 132206783
CID 132206783
CID 132207245
CID 132207245
CID 139319778
CID 139319778
CID 139319848
CID 139319848
CID 139319859
CID 139319859
CID 139319863
CID 139319863

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine (CID 103824450) is 4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is COc1cc(OC)nc(NCCc2csc(C)n2)n1.
What is the InChIKey of 4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is BRHYXSUFILRQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-14-9(7-19-8)4-5-13-12-15-10(17-2)6-11(16-12)18-3/h6-7H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 103824450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).