N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

C15H14N4O — CID 3232663

IUPACN-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCN(Cc1ccco1)c1ccnc(-c2cccnc2)n1
InChIInChI=1S/C15H14N4O/c1-19(11-13-5-3-9-20-13)14-6-8-17-15(18-14)12-4-2-7-16-10-12/h2-10H,11H2,1H3
InChIKeyBZERTTFZZIXOOW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.77
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 3232663) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID3232663
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCN(Cc1ccco1)c1ccnc(-c2cccnc2)n1
InChIInChI=1S/C15H14N4O/c1-19(11-13-5-3-9-20-13)14-6-8-17-15(18-14)12-4-2-7-16-10-12/h2-10H,11H2,1H3
InChIKeyBZERTTFZZIXOOW-UHFFFAOYSA-N
XLogP2.77
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 3232663) is N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is CN(Cc1ccco1)c1ccnc(-c2cccnc2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is BZERTTFZZIXOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(11-13-5-3-9-20-13)14-6-8-17-15(18-14)12-4-2-7-16-10-12/h2-10H,11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 266.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 3232663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).