4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione

C11H15ClN6O2 — CID 80850816

IUPAC4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione
SMILESCCCNc1nc(Cl)nc(N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C11H15ClN6O2/c1-3-4-13-10-15-9(12)16-11(17-10)18-5-7(19)14-8(20)6(18)2/h6H,3-5H2,1-2H3,(H,14,19,20)(H,13,15,16,17)
InChIKeyRPGYDBKNCDEWRC-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.20
Rot. Bonds4

About 4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione

4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione (PubChem CID 80850816) has the molecular formula C11H15ClN6O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione
PubChem CID80850816
Molecular FormulaC11H15ClN6O2
Molecular Weight298.73 g/mol
Exact Mass298.09
IUPAC Name4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione
SMILESCCCNc1nc(Cl)nc(N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C11H15ClN6O2/c1-3-4-13-10-15-9(12)16-11(17-10)18-5-7(19)14-8(20)6(18)2/h6H,3-5H2,1-2H3,(H,14,19,20)(H,13,15,16,17)
InChIKeyRPGYDBKNCDEWRC-UHFFFAOYSA-N
XLogP0.20
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione
CID 66073724
4-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione
CID 66075655
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80821649
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80827346
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80797987
4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80789244
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-one
CID 134123243
3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
CID 79233937
4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one
CID 80817195
[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640670
4-[2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80851303
6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80826573

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione (CID 80850816) is 4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione is CCCNc1nc(Cl)nc(N2CC(=O)NC(=O)C2C)n1.
What is the InChIKey of 4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione?
The InChIKey is RPGYDBKNCDEWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O2/c1-3-4-13-10-15-9(12)16-11(17-10)18-5-7(19)14-8(20)6(18)2/h6H,3-5H2,1-2H3,(H,14,19,20)(H,13,15,16,17).
What are the key properties of 4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione?
4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione has a molecular weight of 298.73 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 80850816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).