2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H19N5O — CID 80869615

IUPAC2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Oc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C14H19N5O/c1-4-10-15-12-16-13(19(2)3)18-14(17-12)20-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,15,16,17,18)
InChIKeyNLPWFRQDYFWBKO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.55
Rot. Bonds6

About 2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80869615) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80869615
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Oc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C14H19N5O/c1-4-10-15-12-16-13(19(2)3)18-14(17-12)20-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,15,16,17,18)
InChIKeyNLPWFRQDYFWBKO-UHFFFAOYSA-N
XLogP2.55
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867642
4-methoxy-6-(3-methoxyphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865867
6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795943
4-(4-ethylphenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915253
6-[2-(diethylamino)ethoxy]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80879311
2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
CID 82782437
4-(3-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80869841
2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80878030
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80737154

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80869615) is 2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Oc2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NLPWFRQDYFWBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-10-15-12-16-13(19(2)3)18-14(17-12)20-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,15,16,17,18).
What are the key properties of 2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80869615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).