4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine

C15H18N4O2 — CID 72938000

IUPAC4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCCC1COc2ccccc2O1
InChIInChI=1S/C15H18N4O2/c1-10-8-18-15(16)19-14(10)17-7-6-11-9-20-12-4-2-3-5-13(12)21-11/h2-5,8,11H,6-7,9H2,1H3,(H3,16,17,18,19)
InChIKeyBDCAWLFPMHLDTI-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.01
Rot. Bonds4

About 4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine

4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 72938000) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine
PubChem CID72938000
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCCC1COc2ccccc2O1
InChIInChI=1S/C15H18N4O2/c1-10-8-18-15(16)19-14(10)17-7-6-11-9-20-12-4-2-3-5-13(12)21-11/h2-5,8,11H,6-7,9H2,1H3,(H3,16,17,18,19)
InChIKeyBDCAWLFPMHLDTI-UHFFFAOYSA-N
XLogP2.01
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-fluoropyrimidine-2,4-diamine
CID 11460065
5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine
CID 124755755
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 91787068
(E)-3-(2-aminopyrimidin-5-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]prop-2-enamide
CID 131915655
4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80771958
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 97434392
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97153419
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-5-propylpyrimidin-4-amine
CID 134706887
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(methylsulfamoyl)ethanamine
CID 70950703
5-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1,2,4-triazin-3-amine
CID 45210457
(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
5-(3-chlorophenyl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1,2,4-triazin-3-amine
CID 42297772

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine (CID 72938000) is 4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1NCCC1COc2ccccc2O1.
What is the InChIKey of 4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is BDCAWLFPMHLDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-8-18-15(16)19-14(10)17-7-6-11-9-20-12-4-2-3-5-13(12)21-11/h2-5,8,11H,6-7,9H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 286.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 72938000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).