N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine

C10H11N3O — CID 164649589

IUPACN-[2-(furan-3-yl)ethyl]pyrimidin-2-amine
SMILESc1cnc(NCCc2ccoc2)nc1
InChIInChI=1S/C10H11N3O/c1-4-11-10(12-5-1)13-6-2-9-3-7-14-8-9/h1,3-5,7-8H,2,6H2,(H,11,12,13)
InChIKeyJLHMKWWMMCXBOF-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.72
Rot. Bonds4

About N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine

N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 164649589) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(furan-3-yl)ethyl]pyrimidin-2-amine
PubChem CID164649589
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-[2-(furan-3-yl)ethyl]pyrimidin-2-amine
SMILESc1cnc(NCCc2ccoc2)nc1
InChIInChI=1S/C10H11N3O/c1-4-11-10(12-5-1)13-6-2-9-3-7-14-8-9/h1,3-5,7-8H,2,6H2,(H,11,12,13)
InChIKeyJLHMKWWMMCXBOF-UHFFFAOYSA-N
XLogP1.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine (CID 164649589) is N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine is c1cnc(NCCc2ccoc2)nc1.
What is the InChIKey of N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is JLHMKWWMMCXBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-4-11-10(12-5-1)13-6-2-9-3-7-14-8-9/h1,3-5,7-8H,2,6H2,(H,11,12,13).
What are the key properties of N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine?
N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 189.22 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 164649589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).