N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide

C14H20F3N5O — CID 122357277

IUPACN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C14H20F3N5O/c1-9-12(20-11(23)8-14(15,16)17)10(2)19-13(18-9)22-6-4-21(3)5-7-22/h4-8H2,1-3H3,(H,20,23)
InChIKeyQHZMHXHKQGENKJ-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.74
Rot. Bonds3

About N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide (PubChem CID 122357277) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
PubChem CID122357277
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C14H20F3N5O/c1-9-12(20-11(23)8-14(15,16)17)10(2)19-13(18-9)22-6-4-21(3)5-7-22/h4-8H2,1-3H3,(H,20,23)
InChIKeyQHZMHXHKQGENKJ-UHFFFAOYSA-N
XLogP1.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide (CID 122357277) is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide is Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)CC(F)(F)F.
What is the InChIKey of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide?
The InChIKey is QHZMHXHKQGENKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O/c1-9-12(20-11(23)8-14(15,16)17)10(2)19-13(18-9)22-6-4-21(3)5-7-22/h4-8H2,1-3H3,(H,20,23).
What are the key properties of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide?
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide has a molecular weight of 331.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 122357277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).