[(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine

C14H15N3O — CID 165409286

IUPAC[(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESNC[C@@H]1CCOc2c(-c3ccncn3)cccc21
InChIInChI=1S/C14H15N3O/c15-8-10-5-7-18-14-11(10)2-1-3-12(14)13-4-6-16-9-17-13/h1-4,6,9-10H,5,7-8,15H2/t10-/m0/s1
InChIKeyOSSVBPLYHMENDK-JTQLQIEISA-N
MW241.29 g/mol
LogP1.97
Rot. Bonds2

About [(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine

[(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine (PubChem CID 165409286) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is [(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine.

Molecular Properties

Compound Name[(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine
PubChem CID165409286
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name[(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESNC[C@@H]1CCOc2c(-c3ccncn3)cccc21
InChIInChI=1S/C14H15N3O/c15-8-10-5-7-18-14-11(10)2-1-3-12(14)13-4-6-16-9-17-13/h1-4,6,9-10H,5,7-8,15H2/t10-/m0/s1
InChIKeyOSSVBPLYHMENDK-JTQLQIEISA-N
XLogP1.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4S)-8-phenyl-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 165409099
[(4S)-8-(1,3-oxazol-5-yl)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 171470395
[(1R)-5-pyrimidin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460553
(5-pyrimidin-4-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine;hydrochloride
CID 137460198
[(4R)-8-(2,5-dimethyl-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]methanamine;dihydrochloride
CID 165409354
(8-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82387181
2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid
CID 19840598
(8-pyridin-4-yl-3,4-dihydro-2H-chromen-4-yl)methylcarbamic acid
CID 174232180
methyl-[[(4R)-8-(2-methylpyrimidin-4-yl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamic acid
CID 174232163
(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241614
1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 174237193
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495

Frequently Asked Questions

What is the IUPAC name of [(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine?
The IUPAC name of [(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine (CID 165409286) is [(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine.
What is the SMILES notation for [(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine?
The canonical SMILES for [(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine is NC[C@@H]1CCOc2c(-c3ccncn3)cccc21.
What is the InChIKey of [(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine?
The InChIKey is OSSVBPLYHMENDK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O/c15-8-10-5-7-18-14-11(10)2-1-3-12(14)13-4-6-16-9-17-13/h1-4,6,9-10H,5,7-8,15H2/t10-/m0/s1.
What are the key properties of [(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine?
[(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine has a molecular weight of 241.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-8-pyrimidin-4-yl-3,4-dihydro-2H-chromen-4-yl]methanamine is sourced from PubChem (CID 165409286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).