1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine

C13H16N4O — CID 116976731

IUPAC1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCc1ccc(-c2cnc(N3CCC(N)C3)nc2)o1
InChIInChI=1S/C13H16N4O/c1-9-2-3-12(18-9)10-6-15-13(16-7-10)17-5-4-11(14)8-17/h2-3,6-7,11H,4-5,8,14H2,1H3
InChIKeyXKFMCCURLITDNH-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.58
Rot. Bonds2

About 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine

1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 116976731) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID116976731
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCc1ccc(-c2cnc(N3CCC(N)C3)nc2)o1
InChIInChI=1S/C13H16N4O/c1-9-2-3-12(18-9)10-6-15-13(16-7-10)17-5-4-11(14)8-17/h2-3,6-7,11H,4-5,8,14H2,1H3
InChIKeyXKFMCCURLITDNH-UHFFFAOYSA-N
XLogP1.58
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine (CID 116976731) is 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine is Cc1ccc(-c2cnc(N3CCC(N)C3)nc2)o1.
What is the InChIKey of 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is XKFMCCURLITDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-2-3-12(18-9)10-6-15-13(16-7-10)17-5-4-11(14)8-17/h2-3,6-7,11H,4-5,8,14H2,1H3.
What are the key properties of 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 244.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 116976731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).