1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine

C14H19N3O — CID 122096152

IUPAC1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC1Oc2ccccc2C1NC1=NCCCN1C
InChIInChI=1S/C14H19N3O/c1-10-13(11-6-3-4-7-12(11)18-10)16-14-15-8-5-9-17(14)2/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,15,16)
InChIKeyRUCXTYYRUIRWIY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.79
Rot. Bonds1

About 1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122096152) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122096152
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC1Oc2ccccc2C1NC1=NCCCN1C
InChIInChI=1S/C14H19N3O/c1-10-13(11-6-3-4-7-12(11)18-10)16-14-15-8-5-9-17(14)2/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,15,16)
InChIKeyRUCXTYYRUIRWIY-UHFFFAOYSA-N
XLogP1.79
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine with MolForge

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Related Compounds

1-methyl-N-[(1R,2S)-2-naphthalen-1-ylcyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095809
N-cyclopropyl-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 112714860
N-(2,3-dihydro-1H-inden-1-yl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 59848156
N-(3,3-diphenylpropyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 19820447
1-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096061
1-methyl-N-[(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095841
1-methyl-N-[(3-methylphenyl)-phenylmethyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 23328932
1-methyl-N-[[(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]-4,5-dihydroimidazol-2-amine
CID 120972525
[(2R,3S,4R)-2-methyl-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl] hydrogen sulfate
CID 22811077
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
CID 90989077
1-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-3-pyridin-3-ylurea
CID 166209123
N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970999

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine (CID 122096152) is 1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine is CC1Oc2ccccc2C1NC1=NCCCN1C.
What is the InChIKey of 1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is RUCXTYYRUIRWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-13(11-6-3-4-7-12(11)18-10)16-14-15-8-5-9-17(14)2/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122096152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).