N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

C17H20N4O3 — CID 112912254

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc3c(c2)OCO3)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20N4O3/c1-12-8-16(20-17(19-12)21-4-6-22-7-5-21)18-10-13-2-3-14-15(9-13)24-11-23-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,18,19,20)
InChIKeyROWSZEHWIJAPDG-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.96
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 112912254) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID112912254
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc3c(c2)OCO3)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20N4O3/c1-12-8-16(20-17(19-12)21-4-6-22-7-5-21)18-10-13-2-3-14-15(9-13)24-11-23-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,18,19,20)
InChIKeyROWSZEHWIJAPDG-UHFFFAOYSA-N
XLogP1.96
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 47156644
6-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112912257
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 117087710
[2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324376
N-(1,3-benzodioxol-5-ylmethyl)-4-morpholin-4-ylaniline
CID 755929
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112912256
6-methyl-2-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 50982525
N-(1,3-benzodioxol-5-ylmethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 5154889
4-(1,3-benzodioxol-5-ylmethylamino)-2-morpholin-4-ylquinazoline-6-carbonitrile
CID 21184038
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-tert-butyl-6-methylpyrimidine-2,4-diamine
CID 112918790
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine
CID 112868249
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112888389

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 112912254) is N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is Cc1cc(NCc2ccc3c(c2)OCO3)nc(N2CCOCC2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is ROWSZEHWIJAPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-8-16(20-17(19-12)21-4-6-22-7-5-21)18-10-13-2-3-14-15(9-13)24-11-23-14/h2-3,8-9H,4-7,10-11H2,1H3,(H,18,19,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 328.37 g/mol, XLogP of 1.96, 4 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-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 112912254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).