6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C10H17N5O — CID 80873893

IUPAC6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC2CCC2)nc(N(C)C)n1
InChIInChI=1S/C10H17N5O/c1-11-8-12-9(15(2)3)14-10(13-8)16-7-5-4-6-7/h7H,4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyUPCSRMRCQUKCPD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.91
Rot. Bonds4

About 6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80873893) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80873893
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(OC2CCC2)nc(N(C)C)n1
InChIInChI=1S/C10H17N5O/c1-11-8-12-9(15(2)3)14-10(13-8)16-7-5-4-6-7/h7H,4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyUPCSRMRCQUKCPD-UHFFFAOYSA-N
XLogP0.91
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 80873893) is 6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(OC2CCC2)nc(N(C)C)n1.
What is the InChIKey of 6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UPCSRMRCQUKCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-11-8-12-9(15(2)3)14-10(13-8)16-7-5-4-6-7/h7H,4-6H2,1-3H3,(H,11,12,13,14).
What are the key properties of 6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 223.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80873893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).