5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine

C9H8ClN3OS — CID 80872356

IUPAC5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(OCc2cccs2)n1
InChIInChI=1S/C9H8ClN3OS/c10-7-4-12-9(11)13-8(7)14-5-6-2-1-3-15-6/h1-4H,5H2,(H2,11,12,13)
InChIKeyQYPWKMVZRCIVGF-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.35
Rot. Bonds3

About 5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine

5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine (PubChem CID 80872356) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine
PubChem CID80872356
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(OCc2cccs2)n1
InChIInChI=1S/C9H8ClN3OS/c10-7-4-12-9(11)13-8(7)14-5-6-2-1-3-15-6/h1-4H,5H2,(H2,11,12,13)
InChIKeyQYPWKMVZRCIVGF-UHFFFAOYSA-N
XLogP2.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3,5-dichloro-6-(thiophen-2-ylmethoxy)-2-pyridinyl]hydrazine
CID 102762979
4-[(2-bromophenyl)methoxy]-5-chloropyrimidin-2-amine
CID 82824989
5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781687
3,6-dichloro-5-(thiophen-2-ylmethoxy)-1,2,4-triazine
CID 81036270
1-chloro-4-(thiophen-2-ylmethoxy)phthalazine
CID 55041274
6-ethyl-4-(thiophen-2-ylmethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332219
5-methyl-6-(thiophen-2-ylmethoxy)pyridin-3-amine
CID 62475410
[3-(thiophen-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 62684174
2-N,2-N-dimethyl-6-(thiophen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 80872117
5-chloro-4-(2-cyclopropylethoxy)pyrimidin-2-amine
CID 106207418
5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990262
5-amino-2-(thiophen-2-ylmethoxy)pyridine-3-carboxamide
CID 54966607

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine (CID 80872356) is 5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine is Nc1ncc(Cl)c(OCc2cccs2)n1.
What is the InChIKey of 5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine?
The InChIKey is QYPWKMVZRCIVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c10-7-4-12-9(11)13-8(7)14-5-6-2-1-3-15-6/h1-4H,5H2,(H2,11,12,13).
What are the key properties of 5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine?
5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine has a molecular weight of 241.70 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(thiophen-2-ylmethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80872356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).