N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine

C19H15N5O — CID 5061160

IUPACN-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NCc3ccco3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C19H15N5O/c1-3-9-20-15(7-1)17-12-18(22-13-14-6-5-11-25-14)24-19(23-17)16-8-2-4-10-21-16/h1-12H,13H2,(H,22,23,24)
InChIKeyPCPLLQWNFOHEOS-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.81
Rot. Bonds5

About N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine

N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine (PubChem CID 5061160) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
PubChem CID5061160
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NCc3ccco3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C19H15N5O/c1-3-9-20-15(7-1)17-12-18(22-13-14-6-5-11-25-14)24-19(23-17)16-8-2-4-10-21-16/h1-12H,13H2,(H,22,23,24)
InChIKeyPCPLLQWNFOHEOS-UHFFFAOYSA-N
XLogP3.81
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Noberastine
CID 60531
Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 25
CID 11426423
Pyrimidine-4-carboxamide, 27
CID 44520941
4-Pyrimidinecarboxamide,6-(5-methyl-2-furanyl)-n-(2-pyridinylmethyl)-
CID 44520975
Triazine-4-carboxamide, 10
CID 44520935
Triazine-4-carboxamide, 11
CID 44520936
Triazine-4-carboxamide, 12
CID 44520937
Triazine-4-carboxamide, 13
CID 44520938
Triazine-4-carboxamide, 14
CID 44520939
Pyrimidine-4-carboxamide, 102
CID 11404060
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine (CID 5061160) is N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine is c1ccc(-c2cc(NCc3ccco3)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The InChIKey is PCPLLQWNFOHEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-3-9-20-15(7-1)17-12-18(22-13-14-6-5-11-25-14)24-19(23-17)16-8-2-4-10-21-16/h1-12H,13H2,(H,22,23,24).
What are the key properties of N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine has a molecular weight of 329.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 5061160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).