N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine

C19H15N5O — CID 4126935

IUPACN-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NCc3ccco3)cc(-c3cccnc3)n2)nc1
InChIInChI=1S/C19H15N5O/c1-2-9-21-16(7-1)19-23-17(14-5-3-8-20-12-14)11-18(24-19)22-13-15-6-4-10-25-15/h1-12H,13H2,(H,22,23,24)
InChIKeyLTRMSHDSRLCEKR-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.81
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine

N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 4126935) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID4126935
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NCc3ccco3)cc(-c3cccnc3)n2)nc1
InChIInChI=1S/C19H15N5O/c1-2-9-21-16(7-1)19-23-17(14-5-3-8-20-12-14)11-18(24-19)22-13-15-6-4-10-25-15/h1-12H,13H2,(H,22,23,24)
InChIKeyLTRMSHDSRLCEKR-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

N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
2-pyridin-2-yl-6-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 69182655
N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 4099468
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936733
2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol
CID 69184039
N-[[3-(aminomethyl)cyclohexyl]methyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 69183338
N-(furan-2-ylmethyl)-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 3657838
trans-(1S,2S)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 69183255
6-N-(furan-2-ylmethyl)-2-phenyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112881208
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine (CID 4126935) is N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine is c1ccc(-c2nc(NCc3ccco3)cc(-c3cccnc3)n2)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is LTRMSHDSRLCEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-2-9-21-16(7-1)19-23-17(14-5-3-8-20-12-14)11-18(24-19)22-13-15-6-4-10-25-15/h1-12H,13H2,(H,22,23,24).
What are the key properties of N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
N-(furan-2-ylmethyl)-2-pyridin-2-yl-6-pyridin-3-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-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 4126935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).