(3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone

C19H24Cl2N6O — CID 133433566

IUPAC(3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone
SMILESCC(C)c1nc(N(C)C)nc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)n1
InChIInChI=1S/C19H24Cl2N6O/c1-12(2)16-22-18(25(3)4)24-19(23-16)27-7-5-26(6-8-27)17(28)13-9-14(20)11-15(21)10-13/h9-12H,5-8H2,1-4H3
InChIKeyISYUKHYUQVWMFX-UHFFFAOYSA-N
MW423.35 g/mol
LogP3.33
Rot. Bonds4

About (3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone

(3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone (PubChem CID 133433566) has the molecular formula C19H24Cl2N6O and a molecular weight of 423.35 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone
PubChem CID133433566
Molecular FormulaC19H24Cl2N6O
Molecular Weight423.35 g/mol
Exact Mass422.14
IUPAC Name(3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone
SMILESCC(C)c1nc(N(C)C)nc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)n1
InChIInChI=1S/C19H24Cl2N6O/c1-12(2)16-22-18(25(3)4)24-19(23-16)27-7-5-26(6-8-27)17(28)13-9-14(20)11-15(21)10-13/h9-12H,5-8H2,1-4H3
InChIKeyISYUKHYUQVWMFX-UHFFFAOYSA-N
XLogP3.33
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone (CID 133433566) is (3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone is CC(C)c1nc(N(C)C)nc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)n1.
What is the InChIKey of (3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone?
The InChIKey is ISYUKHYUQVWMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N6O/c1-12(2)16-22-18(25(3)4)24-19(23-16)27-7-5-26(6-8-27)17(28)13-9-14(20)11-15(21)10-13/h9-12H,5-8H2,1-4H3.
What are the key properties of (3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone?
(3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone has a molecular weight of 423.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 133433566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).