2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine

C18H23ClF3N5 — CID 139886561

IUPAC2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine
SMILESCC(C)c1nc(NNCCN(C)C)c(Cl)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H23ClF3N5/c1-11(2)16-24-15(12-5-7-13(8-6-12)18(20,21)22)14(19)17(25-16)26-23-9-10-27(3)4/h5-8,11,23H,9-10H2,1-4H3,(H,24,25,26)
InChIKeyRZPXTUDCQBFEKO-UHFFFAOYSA-N
MW401.86 g/mol
LogP4.42
Rot. Bonds7

About 2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine

2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine (PubChem CID 139886561) has the molecular formula C18H23ClF3N5 and a molecular weight of 401.86 g/mol. Its IUPAC name is 2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine
PubChem CID139886561
Molecular FormulaC18H23ClF3N5
Molecular Weight401.86 g/mol
Exact Mass401.16
IUPAC Name2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine
SMILESCC(C)c1nc(NNCCN(C)C)c(Cl)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H23ClF3N5/c1-11(2)16-24-15(12-5-7-13(8-6-12)18(20,21)22)14(19)17(25-16)26-23-9-10-27(3)4/h5-8,11,23H,9-10H2,1-4H3,(H,24,25,26)
InChIKeyRZPXTUDCQBFEKO-UHFFFAOYSA-N
XLogP4.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine (CID 139886561) is 2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine is CC(C)c1nc(NNCCN(C)C)c(Cl)c(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine?
The InChIKey is RZPXTUDCQBFEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF3N5/c1-11(2)16-24-15(12-5-7-13(8-6-12)18(20,21)22)14(19)17(25-16)26-23-9-10-27(3)4/h5-8,11,23H,9-10H2,1-4H3,(H,24,25,26).
What are the key properties of 2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine?
2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine has a molecular weight of 401.86 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine is sourced from PubChem (CID 139886561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).