N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine

C16H19N3O3 — CID 133384344

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
SMILESCOCCN(Cc1ccc2c(c1)OCO2)c1cc(C)ncn1
InChIInChI=1S/C16H19N3O3/c1-12-7-16(18-10-17-12)19(5-6-20-2)9-13-3-4-14-15(8-13)22-11-21-14/h3-4,7-8,10H,5-6,9,11H2,1-2H3
InChIKeyGNQRQUMBVVAOLE-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.17
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine (PubChem CID 133384344) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
PubChem CID133384344
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
SMILESCOCCN(Cc1ccc2c(c1)OCO2)c1cc(C)ncn1
InChIInChI=1S/C16H19N3O3/c1-12-7-16(18-10-17-12)19(5-6-20-2)9-13-3-4-14-15(8-13)22-11-21-14/h3-4,7-8,10H,5-6,9,11H2,1-2H3
InChIKeyGNQRQUMBVVAOLE-UHFFFAOYSA-N
XLogP2.17
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 133384353
N-(2-methoxyethyl)-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 133361396
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine
CID 133384360
N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 174533398
trans-(1R,2R)-2-[1,3-benzodioxol-5-ylmethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 125131926
N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 136571111
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119931611
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 22542548
1,3-benzodioxol-5-yl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198322
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120632437
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
5-(2-methoxyethoxymethoxymethyl)-1,3-benzodioxole
CID 13257944

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine (CID 133384344) is N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine is COCCN(Cc1ccc2c(c1)OCO2)c1cc(C)ncn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
The InChIKey is GNQRQUMBVVAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12-7-16(18-10-17-12)19(5-6-20-2)9-13-3-4-14-15(8-13)22-11-21-14/h3-4,7-8,10H,5-6,9,11H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine has a molecular weight of 301.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133384344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).