4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine

C15H18N4O2 — CID 80771958

IUPAC4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N4O2/c1-10-9-18-15(16)19-14(10)17-5-4-11-2-3-12-13(8-11)21-7-6-20-12/h2-3,8-9H,4-7H2,1H3,(H3,16,17,18,19)
InChIKeyOACMUWCEGQYGRH-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.79
Rot. Bonds4

About 4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine

4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 80771958) 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-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine
PubChem CID80771958
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H18N4O2/c1-10-9-18-15(16)19-14(10)17-5-4-11-2-3-12-13(8-11)21-7-6-20-12/h2-3,8-9H,4-7H2,1H3,(H3,16,17,18,19)
InChIKeyOACMUWCEGQYGRH-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
6-chloro-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrimidine-4,5-diamine
CID 63023407
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methylpyridin-2-amine
CID 60876054
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36723585
3-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2,3-diamine
CID 104539752
3,6-dichloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037315
5-chloro-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1H-pyrimidin-6-one
CID 136973683
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747301
5-bromo-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-3,4-diamine
CID 103517552
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80854180
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43824553
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanediamine
CID 115226007

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine (CID 80771958) is 4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is OACMUWCEGQYGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-9-18-15(16)19-14(10)17-5-4-11-2-3-12-13(8-11)21-7-6-20-12/h2-3,8-9H,4-7H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine?
4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 286.34 g/mol, XLogP of 1.79, 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-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80771958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).