2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

C14H19N5O2 — CID 80758431

IUPAC2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H19N5O2/c1-4-9-21-14-18-12(15-2)17-13(19-14)16-10-5-7-11(20-3)8-6-10/h5-8H,4,9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyIYKUEGPORNRAEK-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.45
Rot. Bonds7

About 2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80758431) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80758431
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H19N5O2/c1-4-9-21-14-18-12(15-2)17-13(19-14)16-10-5-7-11(20-3)8-6-10/h5-8H,4,9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyIYKUEGPORNRAEK-UHFFFAOYSA-N
XLogP2.45
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-4-N-methyl-2-N-(4-propoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80799796
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 126478513
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-N-methyl-6-(2,2,2-trifluoroethoxy)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 1044905
4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 55221743
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780955
6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80771579
6-butoxy-2-N-[4-[[4-butoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]phenyl]-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 110189456
4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80874024
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80758431) is 2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is IYKUEGPORNRAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-9-21-14-18-12(15-2)17-13(19-14)16-10-5-7-11(20-3)8-6-10/h5-8H,4,9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80758431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).