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

C13H11N3OS — CID 3234711

IUPAC6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESc1csc(CNc2cc(-c3ccoc3)ncn2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(18-5-1)7-14-13-6-12(15-9-16-13)10-3-4-17-8-10/h1-6,8-9H,7H2,(H,14,15,16)
InChIKeyAYTDMOSIHZDVJH-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.41
Rot. Bonds4

About 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3234711) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3234711
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESc1csc(CNc2cc(-c3ccoc3)ncn2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(18-5-1)7-14-13-6-12(15-9-16-13)10-3-4-17-8-10/h1-6,8-9H,7H2,(H,14,15,16)
InChIKeyAYTDMOSIHZDVJH-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

2-Ethyl-4-(furan-3-yl)thieno[3,2-d]pyrimidine
CID 44449709
6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
CID 3234850
4-(furan-3-yl)-N,N-dimethylthieno[3,2-d]pyrimidin-2-amine
CID 44449634
5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3232786
2-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3233429
6-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3234243
6-(3-furanyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
CID 44142069
6-(furan-2-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 44223933
6-(furan-2-yl)-N-[(4-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 44223940
4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-6-thiophen-2-yl-pyrimidine
CID 44289462
N4-[3-(dimethylamino)propyl]-6-(3-furyl)-N2-methyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 76310736
2-[3-(Dimethylamino)propyl]-1-[4-(furan-3-yl)thieno[3,2-d]pyrimidin-2-yl]guanidine
CID 168298162

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3234711) is 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is c1csc(CNc2cc(-c3ccoc3)ncn2)c1.
What is the InChIKey of 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is AYTDMOSIHZDVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-11(18-5-1)7-14-13-6-12(15-9-16-13)10-3-4-17-8-10/h1-6,8-9H,7H2,(H,14,15,16).
What are the key properties of 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
6-(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 6-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).