6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C10H16ClN5O — CID 79020332

IUPAC6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCC2CCCO2)n1
InChIInChI=1S/C10H16ClN5O/c1-2-12-9-14-8(11)15-10(16-9)13-6-7-4-3-5-17-7/h7H,2-6H2,1H3,(H2,12,13,14,15,16)
InChIKeySYDRDDMRPZGTQL-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.55
Rot. Bonds5

About 6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 79020332) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID79020332
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCC2CCCO2)n1
InChIInChI=1S/C10H16ClN5O/c1-2-12-9-14-8(11)15-10(16-9)13-6-7-4-3-5-17-7/h7H,2-6H2,1H3,(H2,12,13,14,15,16)
InChIKeySYDRDDMRPZGTQL-UHFFFAOYSA-N
XLogP1.55
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 79020332) is 6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCC2CCCO2)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SYDRDDMRPZGTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-2-12-9-14-8(11)15-10(16-9)13-6-7-4-3-5-17-7/h7H,2-6H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 257.72 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 79020332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).