N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine

C20H20N4O — CID 155147795

IUPACN-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine
SMILESCc1cc(C)n2cnc(CNCc3ccc(-c4ccco4)cc3)c2n1
InChIInChI=1S/C20H20N4O/c1-14-10-15(2)24-13-22-18(20(24)23-14)12-21-11-16-5-7-17(8-6-16)19-4-3-9-25-19/h3-10,13,21H,11-12H2,1-2H3
InChIKeyVLPVGSNTWZKVGM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.90
Rot. Bonds5

About N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine

N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine (PubChem CID 155147795) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine
PubChem CID155147795
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine
SMILESCc1cc(C)n2cnc(CNCc3ccc(-c4ccco4)cc3)c2n1
InChIInChI=1S/C20H20N4O/c1-14-10-15(2)24-13-22-18(20(24)23-14)12-21-11-16-5-7-17(8-6-16)19-4-3-9-25-19/h3-10,13,21H,11-12H2,1-2H3
InChIKeyVLPVGSNTWZKVGM-UHFFFAOYSA-N
XLogP3.90
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine?
The IUPAC name of N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine (CID 155147795) is N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine.
What is the SMILES notation for N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine?
The canonical SMILES for N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine is Cc1cc(C)n2cnc(CNCc3ccc(-c4ccco4)cc3)c2n1.
What is the InChIKey of N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine?
The InChIKey is VLPVGSNTWZKVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-10-15(2)24-13-22-18(20(24)23-14)12-21-11-16-5-7-17(8-6-16)19-4-3-9-25-19/h3-10,13,21H,11-12H2,1-2H3.
What are the key properties of N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine?
N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine has a molecular weight of 332.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylimidazo[1,5-a]pyrimidin-8-yl)methyl]-1-[4-(furan-2-yl)phenyl]methanamine is sourced from PubChem (CID 155147795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).