5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C13H11N3OS — CID 3232786

IUPAC5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESc1csc(CNc2ncncc2-c2ccoc2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(18-5-1)6-15-13-12(7-14-9-16-13)10-3-4-17-8-10/h1-5,7-9H,6H2,(H,14,15,16)
InChIKeyGGECXLGKJTVSQQ-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.41
Rot. Bonds4

About 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3232786) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3232786
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESc1csc(CNc2ncncc2-c2ccoc2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(18-5-1)6-15-13-12(7-14-9-16-13)10-3-4-17-8-10/h1-5,7-9H,6H2,(H,14,15,16)
InChIKeyGGECXLGKJTVSQQ-UHFFFAOYSA-N
XLogP3.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-thiophen-2-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68623816
N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 4286982
6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80774342
6-chloro-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729925
1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 122162911
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66324994
1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 122244847
N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91624234
1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 62939218
6-(2-methylindazol-6-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 44968209

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3232786) is 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is c1csc(CNc2ncncc2-c2ccoc2)c1.
What is the InChIKey of 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is GGECXLGKJTVSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-11(18-5-1)6-15-13-12(7-14-9-16-13)10-3-4-17-8-10/h1-5,7-9H,6H2,(H,14,15,16).
What are the key properties of 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 257.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3232786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).