N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine

C15H17N3O4 — CID 82456598

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCc2ccc3c(c2)OCO3)cc(OC)n1
InChIInChI=1S/C15H17N3O4/c1-19-8-14-17-13(6-15(18-14)20-2)16-7-10-3-4-11-12(5-10)22-9-21-11/h3-6H,7-9H2,1-2H3,(H,16,17,18)
InChIKeyDTCKKJPQBIKLNI-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.97
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 82456598) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID82456598
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCc2ccc3c(c2)OCO3)cc(OC)n1
InChIInChI=1S/C15H17N3O4/c1-19-8-14-17-13(6-15(18-14)20-2)16-7-10-3-4-11-12(5-10)22-9-21-11/h3-6H,7-9H2,1-2H3,(H,16,17,18)
InChIKeyDTCKKJPQBIKLNI-UHFFFAOYSA-N
XLogP1.97
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 115626945
6-methoxy-2-(methoxymethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456595
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860350
6-(1,3-benzodioxol-5-ylmethylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 82457476
2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine
CID 62906634
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918295
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112860359
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279
6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352016
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886197
N-(1,3-benzodioxol-5-ylmethyl)pyrimidin-4-amine
CID 62907156

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine (CID 82456598) is N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(NCc2ccc3c(c2)OCO3)cc(OC)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is DTCKKJPQBIKLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-19-8-14-17-13(6-15(18-14)20-2)16-7-10-3-4-11-12(5-10)22-9-21-11/h3-6H,7-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 303.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 82456598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).