N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine

C17H16N6O — CID 75387811

IUPACN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
SMILESCc1oc2ncnc(NCc3ccnc(-n4ccnc4)c3)c2c1C
InChIInChI=1S/C17H16N6O/c1-11-12(2)24-17-15(11)16(21-9-22-17)20-8-13-3-4-19-14(7-13)23-6-5-18-10-23/h3-7,9-10H,8H2,1-2H3,(H,20,21,22)
InChIKeyGQTQPTQPPMGBSO-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.03
Rot. Bonds4

About N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine (PubChem CID 75387811) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
PubChem CID75387811
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
SMILESCc1oc2ncnc(NCc3ccnc(-n4ccnc4)c3)c2c1C
InChIInChI=1S/C17H16N6O/c1-11-12(2)24-17-15(11)16(21-9-22-17)20-8-13-3-4-19-14(7-13)23-6-5-18-10-23/h3-7,9-10H,8H2,1-2H3,(H,20,21,22)
InChIKeyGQTQPTQPPMGBSO-UHFFFAOYSA-N
XLogP3.03
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine (CID 75387811) is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine is Cc1oc2ncnc(NCc3ccnc(-n4ccnc4)c3)c2c1C.
What is the InChIKey of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine?
The InChIKey is GQTQPTQPPMGBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-11-12(2)24-17-15(11)16(21-9-22-17)20-8-13-3-4-19-14(7-13)23-6-5-18-10-23/h3-7,9-10H,8H2,1-2H3,(H,20,21,22).
What are the key properties of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine?
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine has a molecular weight of 320.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 75387811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).