4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine

C22H18N4O3 — CID 22543670

IUPAC4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc3c(c2)OCCO3)ncnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C22H18N4O3/c23-20-21(26-16-6-8-18-19(12-16)28-10-9-27-18)24-13-25-22(20)29-17-7-5-14-3-1-2-4-15(14)11-17/h1-8,11-13H,9-10,23H2,(H,24,25,26)
InChIKeyPROSPKVFANZQFX-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.52
Rot. Bonds4

About 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine (PubChem CID 22543670) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
PubChem CID22543670
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc3c(c2)OCCO3)ncnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C22H18N4O3/c23-20-21(26-16-6-8-18-19(12-16)28-10-9-27-18)24-13-25-22(20)29-17-7-5-14-3-1-2-4-15(14)11-17/h1-8,11-13H,9-10,23H2,(H,24,25,26)
InChIKeyPROSPKVFANZQFX-UHFFFAOYSA-N
XLogP4.52
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine with MolForge

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Related Compounds

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 19146563
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22540745
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19146525
4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543686
4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543583
4-N-(1,3-benzodioxol-5-yl)-6-(4-chloro-3-methylphenoxy)pyrimidine-4,5-diamine
CID 22542193
4-N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22542231
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142541
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135035
6-cyclohexyloxy-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
CID 19146561
1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone
CID 22543595
4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 22543654

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine (CID 22543670) is 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine is Nc1c(Nc2ccc3c(c2)OCCO3)ncnc1Oc1ccc2ccccc2c1.
What is the InChIKey of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The InChIKey is PROSPKVFANZQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c23-20-21(26-16-6-8-18-19(12-16)28-10-9-27-18)24-13-25-22(20)29-17-7-5-14-3-1-2-4-15(14)11-17/h1-8,11-13H,9-10,23H2,(H,24,25,26).
What are the key properties of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine has a molecular weight of 386.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 22543670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).