4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine

C15H29N5O — CID 83145978

IUPAC4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC(C)C(C)(C)C)nc(OC(C)C)n1
InChIInChI=1S/C15H29N5O/c1-8-16-12-18-13(17-9-11(4)15(5,6)7)20-14(19-12)21-10(2)3/h10-11H,8-9H2,1-7H3,(H2,16,17,18,19,20)
InChIKeyKPTIYDNBZODGCX-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.18
Rot. Bonds7

About 4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 83145978) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID83145978
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC(C)C(C)(C)C)nc(OC(C)C)n1
InChIInChI=1S/C15H29N5O/c1-8-16-12-18-13(17-9-11(4)15(5,6)7)20-14(19-12)21-10(2)3/h10-11H,8-9H2,1-7H3,(H2,16,17,18,19,20)
InChIKeyKPTIYDNBZODGCX-UHFFFAOYSA-N
XLogP3.18
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198621
4-N-ethyl-6-propan-2-yloxy-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296179
4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106846977
2-N-cyclobutyl-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80826015
4-N-ethyl-6-propan-2-yloxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80803986
4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818729
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772904
4-(cyclopropylmethoxy)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80865601
4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814989
N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107765332
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine (CID 83145978) is 4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC(C)C(C)(C)C)nc(OC(C)C)n1.
What is the InChIKey of 4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KPTIYDNBZODGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-8-16-12-18-13(17-9-11(4)15(5,6)7)20-14(19-12)21-10(2)3/h10-11H,8-9H2,1-7H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 295.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 83145978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).