2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C12H14FN5O — CID 80772014

IUPAC2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCc2cccc(F)c2)nc(OC)n1
InChIInChI=1S/C12H14FN5O/c1-14-10-16-11(18-12(17-10)19-2)15-7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySZWGINGCQBWYCF-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.67
Rot. Bonds5

About 2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80772014) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80772014
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCc2cccc(F)c2)nc(OC)n1
InChIInChI=1S/C12H14FN5O/c1-14-10-16-11(18-12(17-10)19-2)15-7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySZWGINGCQBWYCF-UHFFFAOYSA-N
XLogP1.67
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-methoxy-4-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771837
N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 65028280
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
6-methoxy-4-N-methyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80821680
2-N-[(3-chlorophenyl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80832203
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
5-bromo-4-N-[(3-fluorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80772365
3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
CID 80797396
6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310
2-N-[(2-chlorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785749
6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80772014) is 2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(NCc2cccc(F)c2)nc(OC)n1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SZWGINGCQBWYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-14-10-16-11(18-12(17-10)19-2)15-7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 263.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80772014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).