4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine

C16H19F2N5 — CID 171995161

IUPAC4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1cccnc1CN1CCN(c2cc(C(F)F)ncn2)CC1
InChIInChI=1S/C16H19F2N5/c1-12-3-2-4-19-14(12)10-22-5-7-23(8-6-22)15-9-13(16(17)18)20-11-21-15/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyKAKKJCOJSUDBFO-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.44
Rot. Bonds4

About 4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine

4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 171995161) has the molecular formula C16H19F2N5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID171995161
Molecular FormulaC16H19F2N5
Molecular Weight319.36 g/mol
Exact Mass319.16
IUPAC Name4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1cccnc1CN1CCN(c2cc(C(F)F)ncn2)CC1
InChIInChI=1S/C16H19F2N5/c1-12-3-2-4-19-14(12)10-22-5-7-23(8-6-22)15-9-13(16(17)18)20-11-21-15/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyKAKKJCOJSUDBFO-UHFFFAOYSA-N
XLogP2.44
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995248
4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine
CID 126850021
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
CID 146038387
4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 165432585
2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide
CID 171994455
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
3-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]phenol
CID 166257159
4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine
CID 166366810
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
1-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 56863169

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine (CID 171995161) is 4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine is Cc1cccnc1CN1CCN(c2cc(C(F)F)ncn2)CC1.
What is the InChIKey of 4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is KAKKJCOJSUDBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5/c1-12-3-2-4-19-14(12)10-22-5-7-23(8-6-22)15-9-13(16(17)18)20-11-21-15/h2-4,9,11,16H,5-8,10H2,1H3.
What are the key properties of 4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 319.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171995161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).