N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine

C14H15N3O — CID 137460813

IUPACN-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine
SMILESCNC[C@H]1OCc2c(-c3ccncn3)cccc21
InChIInChI=1S/C14H15N3O/c1-15-7-14-11-4-2-3-10(12(11)8-18-14)13-5-6-16-9-17-13/h2-6,9,14-15H,7-8H2,1H3/t14-/m1/s1
InChIKeyZBHJTCIEGVHSKX-CQSZACIVSA-N
MW241.29 g/mol
LogP1.93
Rot. Bonds3

About N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine

N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine (PubChem CID 137460813) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine
PubChem CID137460813
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine
SMILESCNC[C@H]1OCc2c(-c3ccncn3)cccc21
InChIInChI=1S/C14H15N3O/c1-15-7-14-11-4-2-3-10(12(11)8-18-14)13-5-6-16-9-17-13/h2-6,9,14-15H,7-8H2,1H3/t14-/m1/s1
InChIKeyZBHJTCIEGVHSKX-CQSZACIVSA-N
XLogP1.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-5-pyrimidin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460553
N-methyl-1-[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460678
(5-pyrimidin-4-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine;hydrochloride
CID 137460198
N-methyl-1-(6-pyrazin-2-yl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methanamine
CID 137460135
(4-pyridin-2-yl-1,3-dihydro-2-benzofuran-1-yl)methylcarbamic acid
CID 137460557
N-methyl-1-[(1R)-5-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460474
N-methyl-1-[(1R)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460251
methyl N-[(4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methyl]carbamate
CID 137460468
N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460178
(4-pyridin-4-yl-1,3-dihydro-2-benzofuran-1-yl)methanol
CID 137460417
4-(1-propyl-1,3-dihydro-2-benzofuran-4-yl)pyridine
CID 161008213
N-methyl-1-[(1S)-5-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460397

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine (CID 137460813) is N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine is CNC[C@H]1OCc2c(-c3ccncn3)cccc21.
What is the InChIKey of N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine?
The InChIKey is ZBHJTCIEGVHSKX-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15N3O/c1-15-7-14-11-4-2-3-10(12(11)8-18-14)13-5-6-16-9-17-13/h2-6,9,14-15H,7-8H2,1H3/t14-/m1/s1.
What are the key properties of N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine?
N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine has a molecular weight of 241.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1S)-4-pyrimidin-4-yl-1,3-dihydro-2-benzofuran-1-yl]methanamine is sourced from PubChem (CID 137460813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).