N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine

C17H21N3O2 — CID 134706887

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1NCC1COc2ccccc2O1
InChIInChI=1S/C17H21N3O2/c1-3-6-13-9-18-12(2)20-17(13)19-10-14-11-21-15-7-4-5-8-16(15)22-14/h4-5,7-9,14H,3,6,10-11H2,1-2H3,(H,18,19,20)
InChIKeyCZZOKLAXGBMNGG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.99
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine (PubChem CID 134706887) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine
PubChem CID134706887
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1NCC1COc2ccccc2O1
InChIInChI=1S/C17H21N3O2/c1-3-6-13-9-18-12(2)20-17(13)19-10-14-11-21-15-7-4-5-8-16(15)22-14/h4-5,7-9,14H,3,6,10-11H2,1-2H3,(H,18,19,20)
InChIKeyCZZOKLAXGBMNGG-UHFFFAOYSA-N
XLogP2.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 97192688
2-methyl-N-(oxan-3-ylmethyl)-5-propylpyrimidin-4-amine
CID 134698138
4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-fluoropyrimidine-2,4-diamine
CID 11460065
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine
CID 97276902
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 166196115
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-ethylsulfanylpyrazin-2-amine
CID 97030115
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 135115289
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxypyrimidin-2-amine
CID 17459236
5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)pyridine-2-carbonitrile
CID 133351946
4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 72938000
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2458302

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine (CID 134706887) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine is CCCc1cnc(C)nc1NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine?
The InChIKey is CZZOKLAXGBMNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-6-13-9-18-12(2)20-17(13)19-10-14-11-21-15-7-4-5-8-16(15)22-14/h4-5,7-9,14H,3,6,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine has a molecular weight of 299.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 134706887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).