2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

C20H38N10O2 — CID 67912781

IUPAC2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCC(C)N(CC)c1nc(N)nc(OC)n1.CCNc1nc(NC(C)CC)nc(OC)n1
InChIInChI=1S/2C10H19N5O/c1-5-7(3)15(6-2)9-12-8(11)13-10(14-9)16-4;1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14);7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyINDLDJRTULSTJY-UHFFFAOYSA-N
MW450.59 g/mol
LogP2.61
Rot. Bonds11

About 2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 67912781) has the molecular formula C20H38N10O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID67912781
Molecular FormulaC20H38N10O2
Molecular Weight450.59 g/mol
Exact Mass450.32
IUPAC Name2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCC(C)N(CC)c1nc(N)nc(OC)n1.CCNc1nc(NC(C)CC)nc(OC)n1
InChIInChI=1S/2C10H19N5O/c1-5-7(3)15(6-2)9-12-8(11)13-10(14-9)16-4;1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14);7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyINDLDJRTULSTJY-UHFFFAOYSA-N
XLogP2.61
TPSA149.12 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (CID 67912781) is 2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is CCC(C)N(CC)c1nc(N)nc(OC)n1.CCNc1nc(NC(C)CC)nc(OC)n1.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is INDLDJRTULSTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N5O/c1-5-7(3)15(6-2)9-12-8(11)13-10(14-9)16-4;1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14);7H,5-6H2,1-4H3,(H2,11,12,13,14,15).
What are the key properties of 2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 450.59 g/mol, XLogP of 2.61, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine;2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67912781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).