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

C12H12N4O2 — CID 79915694

IUPAC4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H12N4O2/c13-9-6-14-7-15-12(9)16-8-1-2-10-11(5-8)18-4-3-17-10/h1-2,5-7H,3-4,13H2,(H,14,15,16)
InChIKeyLKGONZFTYORDDR-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.57
Rot. Bonds2

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

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine (PubChem CID 79915694) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
PubChem CID79915694
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
SMILESNc1cncnc1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H12N4O2/c13-9-6-14-7-15-12(9)16-8-1-2-10-11(5-8)18-4-3-17-10/h1-2,5-7H,3-4,13H2,(H,14,15,16)
InChIKeyLKGONZFTYORDDR-UHFFFAOYSA-N
XLogP1.57
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135035
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5,6-triamine
CID 19146453
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19146525
1-[4-[[5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19146472
4-N-naphthalen-2-ylpyrimidine-4,5-diamine
CID 79917712
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22540745
4-N-pyrimidin-5-ylpyrimidine-4,5-diamine
CID 83618947
6-cyclohexyloxy-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
CID 19146561
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 19146563
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinazoline-7-carboxylate
CID 6984794
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359455

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine (CID 79915694) is 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine is Nc1cncnc1Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine?
The InChIKey is LKGONZFTYORDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-9-6-14-7-15-12(9)16-8-1-2-10-11(5-8)18-4-3-17-10/h1-2,5-7H,3-4,13H2,(H,14,15,16).
What are the key properties of 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine?
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine has a molecular weight of 244.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79915694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).