6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine

C12H23N5O — CID 80810648

IUPAC6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)C(C)CC(C)C)n1
InChIInChI=1S/C12H23N5O/c1-6-18-12-15-10(13)14-11(16-12)17(5)9(4)7-8(2)3/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyWTQIBQKVXLPEIN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.72
Rot. Bonds6

About 6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80810648) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80810648
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)C(C)CC(C)C)n1
InChIInChI=1S/C12H23N5O/c1-6-18-12-15-10(13)14-11(16-12)17(5)9(4)7-8(2)3/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyWTQIBQKVXLPEIN-UHFFFAOYSA-N
XLogP1.72
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792073
2-N,4-N,4-N-trimethyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80810743
2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80775578
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776108
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropanenitrile
CID 80811099
4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
CID 80867376
6-ethoxy-2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847735
6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80866087
4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62857557
2-N,2-N-dimethyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazine-2,4-diamine
CID 106451415
2-N-(1-cyclopropylethyl)-6-ethoxy-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80820940
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 105420965

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 80810648) is 6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(N(C)C(C)CC(C)C)n1.
What is the InChIKey of 6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WTQIBQKVXLPEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-18-12-15-10(13)14-11(16-12)17(5)9(4)7-8(2)3/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80810648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).