4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one

C13H18N4O2 — CID 46903647

IUPAC4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one
SMILESCN(CCCn1ccc(N)nc1=O)Cc1ccco1
InChIInChI=1S/C13H18N4O2/c1-16(10-11-4-2-9-19-11)6-3-7-17-8-5-12(14)15-13(17)18/h2,4-5,8-9H,3,6-7,10H2,1H3,(H2,14,15,18)
InChIKeyBWUDBQUJULUCLT-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.94
Rot. Bonds6

About 4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one

4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one (PubChem CID 46903647) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one
PubChem CID46903647
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one
SMILESCN(CCCn1ccc(N)nc1=O)Cc1ccco1
InChIInChI=1S/C13H18N4O2/c1-16(10-11-4-2-9-19-11)6-3-7-17-8-5-12(14)15-13(17)18/h2,4-5,8-9H,3,6-7,10H2,1H3,(H2,14,15,18)
InChIKeyBWUDBQUJULUCLT-UHFFFAOYSA-N
XLogP0.94
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one (CID 46903647) is 4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one is CN(CCCn1ccc(N)nc1=O)Cc1ccco1.
What is the InChIKey of 4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one?
The InChIKey is BWUDBQUJULUCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16(10-11-4-2-9-19-11)6-3-7-17-8-5-12(14)15-13(17)18/h2,4-5,8-9H,3,6-7,10H2,1H3,(H2,14,15,18).
What are the key properties of 4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one?
4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-[furan-2-ylmethyl(methyl)amino]propyl]pyrimidin-2-one is sourced from PubChem (CID 46903647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).