N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine

C15H17N3O — CID 137460411

IUPACN-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESCNC[C@@H]1OCCc2cc(-c3ncccn3)ccc21
InChIInChI=1S/C15H17N3O/c1-16-10-14-13-4-3-12(9-11(13)5-8-19-14)15-17-6-2-7-18-15/h2-4,6-7,9,14,16H,5,8,10H2,1H3/t14-/m0/s1
InChIKeyZMFHEZBZKYGTLJ-AWEZNQCLSA-N
MW255.32 g/mol
LogP1.98
Rot. Bonds3

About N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine

N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (PubChem CID 137460411) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
PubChem CID137460411
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESCNC[C@@H]1OCCc2cc(-c3ncccn3)ccc21
InChIInChI=1S/C15H17N3O/c1-16-10-14-13-4-3-12(9-11(13)5-8-19-14)15-17-6-2-7-18-15/h2-4,6-7,9,14,16H,5,8,10H2,1H3/t14-/m0/s1
InChIKeyZMFHEZBZKYGTLJ-AWEZNQCLSA-N
XLogP1.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (CID 137460411) is N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is CNC[C@@H]1OCCc2cc(-c3ncccn3)ccc21.
What is the InChIKey of N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The InChIKey is ZMFHEZBZKYGTLJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17N3O/c1-16-10-14-13-4-3-12(9-11(13)5-8-19-14)15-17-6-2-7-18-15/h2-4,6-7,9,14,16H,5,8,10H2,1H3/t14-/m0/s1.
What are the key properties of N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is sourced from PubChem (CID 137460411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).