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

C14H27N5O — CID 80847578

IUPAC4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CC(C)Nc1nc(NC)nc(OC(C)C)n1
InChIInChI=1S/C14H27N5O/c1-7-10(4)8-11(5)16-13-17-12(15-6)18-14(19-13)20-9(2)3/h9-11H,7-8H2,1-6H3,(H2,15,16,17,18,19)
InChIKeyPMBFHHWSOWTPEU-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.94
Rot. Bonds8

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

4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80847578) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80847578
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CC(C)Nc1nc(NC)nc(OC(C)C)n1
InChIInChI=1S/C14H27N5O/c1-7-10(4)8-11(5)16-13-17-12(15-6)18-14(19-13)20-9(2)3/h9-11H,7-8H2,1-6H3,(H2,15,16,17,18,19)
InChIKeyPMBFHHWSOWTPEU-UHFFFAOYSA-N
XLogP2.94
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80836368
N-ethyl-N-methyl-2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]propanamide
CID 103113878
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163511
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80813456
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-methyl-1-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106296430
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80910560
4-butyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106659350
2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780133
4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80771725
4-(1-methoxypropan-2-yloxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80880228

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80847578) is 4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CCC(C)CC(C)Nc1nc(NC)nc(OC(C)C)n1.
What is the InChIKey of 4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is PMBFHHWSOWTPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-7-10(4)8-11(5)16-13-17-12(15-6)18-14(19-13)20-9(2)3/h9-11H,7-8H2,1-6H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 281.40 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80847578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).