6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C10H18ClN5 — CID 15950

IUPAC6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C10H18ClN5/c1-5-16(6-2)10-14-8(11)13-9(15-10)12-7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyOWYWGLHRNBIFJP-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.19
Rot. Bonds5

About 6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 15950) has the molecular formula C10H18ClN5 and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID15950
Molecular FormulaC10H18ClN5
Molecular Weight243.74 g/mol
Exact Mass243.13
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C10H18ClN5/c1-5-16(6-2)10-14-8(11)13-9(15-10)12-7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyOWYWGLHRNBIFJP-UHFFFAOYSA-N
XLogP2.19
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 15950) is 6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is OWYWGLHRNBIFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5/c1-5-16(6-2)10-14-8(11)13-9(15-10)12-7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 243.74 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).