2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine

C15H15N5OS — CID 118741298

IUPAC2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine
SMILESCc1ncc(-c2ccnc(SCCN)n2)c(-c2ccco2)n1
InChIInChI=1S/C15H15N5OS/c1-10-18-9-11(14(19-10)13-3-2-7-21-13)12-4-6-17-15(20-12)22-8-5-16/h2-4,6-7,9H,5,8,16H2,1H3
InChIKeyXNDUYPVUDOJYQE-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.55
Rot. Bonds5

About 2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine

2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine (PubChem CID 118741298) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine.

Molecular Properties

Compound Name2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine
PubChem CID118741298
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine
SMILESCc1ncc(-c2ccnc(SCCN)n2)c(-c2ccco2)n1
InChIInChI=1S/C15H15N5OS/c1-10-18-9-11(14(19-10)13-3-2-7-21-13)12-4-6-17-15(20-12)22-8-5-16/h2-4,6-7,9H,5,8,16H2,1H3
InChIKeyXNDUYPVUDOJYQE-UHFFFAOYSA-N
XLogP2.55
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine?
The IUPAC name of 2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine (CID 118741298) is 2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine.
What is the SMILES notation for 2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine?
The canonical SMILES for 2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine is Cc1ncc(-c2ccnc(SCCN)n2)c(-c2ccco2)n1.
What is the InChIKey of 2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine?
The InChIKey is XNDUYPVUDOJYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-10-18-9-11(14(19-10)13-3-2-7-21-13)12-4-6-17-15(20-12)22-8-5-16/h2-4,6-7,9H,5,8,16H2,1H3.
What are the key properties of 2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine?
2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine has a molecular weight of 313.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine is sourced from PubChem (CID 118741298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).