2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H18FN5O — CID 80750770

IUPAC2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2ccc(C)c(F)c2)nc(OC)n1
InChIInChI=1S/C14H18FN5O/c1-4-7-16-12-18-13(20-14(19-12)21-3)17-10-6-5-9(2)11(15)8-10/h5-6,8H,4,7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyKIUPGZMPTYGOIW-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.89
Rot. Bonds6

About 2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80750770) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80750770
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2ccc(C)c(F)c2)nc(OC)n1
InChIInChI=1S/C14H18FN5O/c1-4-7-16-12-18-13(20-14(19-12)21-3)17-10-6-5-9(2)11(15)8-10/h5-6,8H,4,7H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyKIUPGZMPTYGOIW-UHFFFAOYSA-N
XLogP2.89
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80773421
2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781316
6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117092308
2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107604531
N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80916230
6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80854981
4-(3-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80869841
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
2-N-(2-bromophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80761372
3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755202
4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 83232385
4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 79743156

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80750770) is 2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Nc2ccc(C)c(F)c2)nc(OC)n1.
What is the InChIKey of 2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KIUPGZMPTYGOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-4-7-16-12-18-13(20-14(19-12)21-3)17-10-6-5-9(2)11(15)8-10/h5-6,8H,4,7H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80750770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).