2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine

C18H24N4O2 — CID 112925782

IUPAC2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C18H24N4O2/c1-4-5-8-22(3)18-19-13(2)11-17(21-18)20-14-6-7-15-16(12-14)24-10-9-23-15/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,19,20,21)
InChIKeyRPUYIZQAJFKZFJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.54
Rot. Bonds6

About 2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine

2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112925782) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112925782
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C18H24N4O2/c1-4-5-8-22(3)18-19-13(2)11-17(21-18)20-14-6-7-15-16(12-14)24-10-9-23-15/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,19,20,21)
InChIKeyRPUYIZQAJFKZFJ-UHFFFAOYSA-N
XLogP3.54
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925744
2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925722
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112907073
6-N-(1,3-benzodioxol-5-yl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864267
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112920002
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924464
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928938
N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylpyrimidine-4-carboxamide
CID 109320769
4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932034
N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931544
2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112915169
1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915089

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine (CID 112925782) is 2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine is CCCCN(C)c1nc(C)cc(Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is RPUYIZQAJFKZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-5-8-22(3)18-19-13(2)11-17(21-18)20-14-6-7-15-16(12-14)24-10-9-23-15/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,19,20,21).
What are the key properties of 2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine?
2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 328.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112925782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).