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

C12H20F3N5O — CID 80790304

IUPAC4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC(C)C)nc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C12H20F3N5O/c1-7(2)20(6-12(13,14)15)10-17-9(16-5)18-11(19-10)21-8(3)4/h7-8H,6H2,1-5H3,(H,16,17,18,19)
InChIKeyBPNHWVHKPBKNKH-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.48
Rot. Bonds6

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

4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80790304) has the molecular formula C12H20F3N5O and a molecular weight of 307.32 g/mol. Its IUPAC name is 4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80790304
Molecular FormulaC12H20F3N5O
Molecular Weight307.32 g/mol
Exact Mass307.16
IUPAC Name4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC(C)C)nc(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C12H20F3N5O/c1-7(2)20(6-12(13,14)15)10-17-9(16-5)18-11(19-10)21-8(3)4/h7-8H,6H2,1-5H3,(H,16,17,18,19)
InChIKeyBPNHWVHKPBKNKH-UHFFFAOYSA-N
XLogP2.48
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

4-hydrazinyl-N-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80895085
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80780568
4-(1-methoxypropan-2-yloxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80880228
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 102723624
4-hydrazinyl-N-pentyl-N-propan-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80900261
2-N-(cyclopropylmethyl)-2-N-ethyl-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80840106
2-N-cyclohexyl-2-N,4-N-dimethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762337
2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805678
N-butan-2-yl-N-ethyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80894423
2-N,4-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80835644
4-N-methyl-6-propan-2-yloxy-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80790857
2-N,4-N-dimethyl-6-propan-2-yloxy-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781042

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 80790304) is 4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CNc1nc(OC(C)C)nc(N(CC(F)(F)F)C(C)C)n1.
What is the InChIKey of 4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BPNHWVHKPBKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5O/c1-7(2)20(6-12(13,14)15)10-17-9(16-5)18-11(19-10)21-8(3)4/h7-8H,6H2,1-5H3,(H,16,17,18,19).
What are the key properties of 4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 307.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80790304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).