6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

C9H16ClN5 — CID 4937

IUPAC6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKeyWJNRPILHGGKWCK-UHFFFAOYSA-N
MW229.72 g/mol
LogP2.17
Rot. Bonds4

About 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 4937) has the molecular formula C9H16ClN5 and a molecular weight of 229.72 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID4937
Molecular FormulaC9H16ClN5
Molecular Weight229.72 g/mol
Exact Mass229.11
IUPAC Name6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKeyWJNRPILHGGKWCK-UHFFFAOYSA-N
XLogP2.17
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.72
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (CID 4937) is 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WJNRPILHGGKWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15).
What are the key properties of 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 229.72 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 4937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).