4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine

C10H11N3OS — CID 112685174

IUPAC4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccsc2)n1
InChIInChI=1S/C10H11N3OS/c1-14-9-2-4-11-10(13-9)12-6-8-3-5-15-7-8/h2-5,7H,6H2,1H3,(H,11,12,13)
InChIKeyRMRAZCWLPYBNAI-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.16
Rot. Bonds4

About 4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine

4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine (PubChem CID 112685174) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
PubChem CID112685174
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccsc2)n1
InChIInChI=1S/C10H11N3OS/c1-14-9-2-4-11-10(13-9)12-6-8-3-5-15-7-8/h2-5,7H,6H2,1H3,(H,11,12,13)
InChIKeyRMRAZCWLPYBNAI-UHFFFAOYSA-N
XLogP2.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine (CID 112685174) is 4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine is COc1ccnc(NCc2ccsc2)n1.
What is the InChIKey of 4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is RMRAZCWLPYBNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-14-9-2-4-11-10(13-9)12-6-8-3-5-15-7-8/h2-5,7H,6H2,1H3,(H,11,12,13).
What are the key properties of 4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine?
4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 221.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112685174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).