4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine

C9H10N4OS — CID 49430869

IUPAC4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
SMILESCOc1ccnc(NCc2cscn2)n1
InChIInChI=1S/C9H10N4OS/c1-14-8-2-3-10-9(13-8)11-4-7-5-15-6-12-7/h2-3,5-6H,4H2,1H3,(H,10,11,13)
InChIKeyATSWIXUCZGKHOY-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.55
Rot. Bonds4

About 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine

4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine (PubChem CID 49430869) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
PubChem CID49430869
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
SMILESCOc1ccnc(NCc2cscn2)n1
InChIInChI=1S/C9H10N4OS/c1-14-8-2-3-10-9(13-8)11-4-7-5-15-6-12-7/h2-3,5-6H,4H2,1H3,(H,10,11,13)
InChIKeyATSWIXUCZGKHOY-UHFFFAOYSA-N
XLogP1.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine (CID 49430869) is 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine is COc1ccnc(NCc2cscn2)n1.
What is the InChIKey of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is ATSWIXUCZGKHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-14-8-2-3-10-9(13-8)11-4-7-5-15-6-12-7/h2-3,5-6H,4H2,1H3,(H,10,11,13).
What are the key properties of 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine?
4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 222.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 49430869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).