6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine

C11H14N4OS — CID 50963601

IUPAC6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NCCc2scnc2C)ncn1
InChIInChI=1S/C11H14N4OS/c1-8-9(17-7-15-8)3-4-12-10-5-11(16-2)14-6-13-10/h5-7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyDOHDXHAAXOQBDS-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.90
Rot. Bonds5

About 6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine

6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 50963601) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID50963601
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cc(NCCc2scnc2C)ncn1
InChIInChI=1S/C11H14N4OS/c1-8-9(17-7-15-8)3-4-12-10-5-11(16-2)14-6-13-10/h5-7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyDOHDXHAAXOQBDS-UHFFFAOYSA-N
XLogP1.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine (CID 50963601) is 6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine is COc1cc(NCCc2scnc2C)ncn1.
What is the InChIKey of 6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is DOHDXHAAXOQBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-9(17-7-15-8)3-4-12-10-5-11(16-2)14-6-13-10/h5-7H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine?
6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 250.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50963601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).