5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide

C14H17N5O2 — CID 100651980

IUPAC5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide
SMILESNC(=O)c1coc(CNc2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C14H17N5O2/c15-14(20)10-5-11(21-8-10)7-16-12-6-13(18-9-17-12)19-3-1-2-4-19/h5-6,8-9H,1-4,7H2,(H2,15,20)(H,16,17,18)
InChIKeyDWFBJSBTCSNWHP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.38
Rot. Bonds5

About 5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide

5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide (PubChem CID 100651980) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide
PubChem CID100651980
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide
SMILESNC(=O)c1coc(CNc2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C14H17N5O2/c15-14(20)10-5-11(21-8-10)7-16-12-6-13(18-9-17-12)19-3-1-2-4-19/h5-6,8-9H,1-4,7H2,(H2,15,20)(H,16,17,18)
InChIKeyDWFBJSBTCSNWHP-UHFFFAOYSA-N
XLogP1.38
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide?
The IUPAC name of 5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide (CID 100651980) is 5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide.
What is the SMILES notation for 5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide?
The canonical SMILES for 5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide is NC(=O)c1coc(CNc2cc(N3CCCC3)ncn2)c1.
What is the InChIKey of 5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide?
The InChIKey is DWFBJSBTCSNWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-14(20)10-5-11(21-8-10)7-16-12-6-13(18-9-17-12)19-3-1-2-4-19/h5-6,8-9H,1-4,7H2,(H2,15,20)(H,16,17,18).
What are the key properties of 5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide?
5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]furan-3-carboxamide is sourced from PubChem (CID 100651980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).