6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C20H20N4O2 — CID 112879405

IUPAC6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(Nc2ccc3c(c2)OCO3)nc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-13(2)21-18-11-19(24-20(23-18)14-6-4-3-5-7-14)22-15-8-9-16-17(10-15)26-12-25-16/h3-11,13H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyXEQDJYKMDXQUPB-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.44
Rot. Bonds5

About 6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112879405) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112879405
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(Nc2ccc3c(c2)OCO3)nc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-13(2)21-18-11-19(24-20(23-18)14-6-4-3-5-7-14)22-15-8-9-16-17(10-15)26-12-25-16/h3-11,13H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyXEQDJYKMDXQUPB-UHFFFAOYSA-N
XLogP4.44
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112879366
6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-2-phenylpyrimidine-4-carboxamide
CID 112854344
[6-(1,3-benzodioxol-5-ylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852782
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879556
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932761
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112880026
methyl 3-[[2-phenyl-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 112879396
4-N-(1,3-benzodioxol-5-yl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80759901
6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112879380
4-N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80956811
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851443
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907216

Frequently Asked Questions

What is the IUPAC name of 6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112879405) is 6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CC(C)Nc1cc(Nc2ccc3c(c2)OCO3)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is XEQDJYKMDXQUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(2)21-18-11-19(24-20(23-18)14-6-4-3-5-7-14)22-15-8-9-16-17(10-15)26-12-25-16/h3-11,13H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 348.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).