5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine

C14H13N3O2 — CID 3235456

IUPAC5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccco1)c1ncncc1-c1ccoc1
InChIInChI=1S/C14H13N3O2/c1-17(8-12-3-2-5-19-12)14-13(7-15-10-16-14)11-4-6-18-9-11/h2-7,9-10H,8H2,1H3
InChIKeyKVZVYIVNXQGVAY-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.97
Rot. Bonds4

About 5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine

5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 3235456) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID3235456
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccco1)c1ncncc1-c1ccoc1
InChIInChI=1S/C14H13N3O2/c1-17(8-12-3-2-5-19-12)14-13(7-15-10-16-14)11-4-6-18-9-11/h2-7,9-10H,8H2,1H3
InChIKeyKVZVYIVNXQGVAY-UHFFFAOYSA-N
XLogP2.97
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (CID 3235456) is 5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is CN(Cc1ccco1)c1ncncc1-c1ccoc1.
What is the InChIKey of 5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is KVZVYIVNXQGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-17(8-12-3-2-5-19-12)14-13(7-15-10-16-14)11-4-6-18-9-11/h2-7,9-10H,8H2,1H3.
What are the key properties of 5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 255.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 3235456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).