4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine

C12H15N3OS — CID 80893880

IUPAC4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(SCc2ccco2)n1
InChIInChI=1S/C12H15N3OS/c1-2-6-13-12-14-7-5-11(15-12)17-9-10-4-3-8-16-10/h3-5,7-8H,2,6,9H2,1H3,(H,13,14,15)
InChIKeyLKLMWEVXBPNVQQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.18
Rot. Bonds6

About 4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine

4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine (PubChem CID 80893880) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
PubChem CID80893880
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(SCc2ccco2)n1
InChIInChI=1S/C12H15N3OS/c1-2-6-13-12-14-7-5-11(15-12)17-9-10-4-3-8-16-10/h3-5,7-8H,2,6,9H2,1H3,(H,13,14,15)
InChIKeyLKLMWEVXBPNVQQ-UHFFFAOYSA-N
XLogP3.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
CID 80892831
4-butylsulfanyl-N-propylpyrimidin-2-amine
CID 80884560
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80892759
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107766037
3-[2-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890566
2-(furan-2-ylmethylsulfanyl)-4-methylpyridine
CID 91863097
4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80886291
4-(4-chlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80888094
5-chloro-N-ethyl-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 80893486
4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80873237
4-(3,4-dichlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891234

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine (CID 80893880) is 4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine is CCCNc1nccc(SCc2ccco2)n1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine?
The InChIKey is LKLMWEVXBPNVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-6-13-12-14-7-5-11(15-12)17-9-10-4-3-8-16-10/h3-5,7-8H,2,6,9H2,1H3,(H,13,14,15).
What are the key properties of 4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine?
4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80893880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).