2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C14H17N5O2 — CID 80822527

IUPAC2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NC2COc3ccccc32)n1
InChIInChI=1S/C14H17N5O2/c1-8(2)21-14-18-12(15)17-13(19-14)16-10-7-20-11-6-4-3-5-9(10)11/h3-6,8,10H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyQLFHLUKJPYTPKR-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.79
Rot. Bonds4

About 2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80822527) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80822527
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NC2COc3ccccc32)n1
InChIInChI=1S/C14H17N5O2/c1-8(2)21-14-18-12(15)17-13(19-14)16-10-7-20-11-6-4-3-5-9(10)11/h3-6,8,10H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyQLFHLUKJPYTPKR-UHFFFAOYSA-N
XLogP1.79
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120
5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine
CID 66279227
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 80826648
6-(difluoromethyl)-2-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 16750555
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80835565
N-(2,3-dihydro-1-benzofuran-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475837
N-(2,3-dihydro-1-benzofuran-3-yl)propane-2-sulfonamide
CID 62066112
6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951585
N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine
CID 103561957
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
6-ethoxy-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797018
N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574403

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80822527) is 2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(NC2COc3ccccc32)n1.
What is the InChIKey of 2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is QLFHLUKJPYTPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8(2)21-14-18-12(15)17-13(19-14)16-10-7-20-11-6-4-3-5-9(10)11/h3-6,8,10H,7H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 287.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1-benzofuran-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80822527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).