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

C8H14ClN5 — CID 18757620

IUPAC6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(c1nc(N)nc(Cl)n1)C(C)C
InChIInChI=1S/C8H14ClN5/c1-4-14(5(2)3)8-12-6(9)11-7(10)13-8/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyLDDNFLSNRVPERL-UHFFFAOYSA-N
MW215.69 g/mol
LogP1.34
Rot. Bonds3

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

6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18757620) has the molecular formula C8H14ClN5 and a molecular weight of 215.69 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID18757620
Molecular FormulaC8H14ClN5
Molecular Weight215.69 g/mol
Exact Mass215.09
IUPAC Name6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(c1nc(N)nc(Cl)n1)C(C)C
InChIInChI=1S/C8H14ClN5/c1-4-14(5(2)3)8-12-6(9)11-7(10)13-8/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyLDDNFLSNRVPERL-UHFFFAOYSA-N
XLogP1.34
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.69
LogP ≤ 51.34
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-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 18757620) is 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCN(c1nc(N)nc(Cl)n1)C(C)C.
What is the InChIKey of 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is LDDNFLSNRVPERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5/c1-4-14(5(2)3)8-12-6(9)11-7(10)13-8/h5H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 215.69 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18757620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).