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

C15H16F3N5 — CID 171995248

IUPAC4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1cccnc1CN1CCN(c2cc(C(F)F)ncn2)CC1
InChIInChI=1S/C15H16F3N5/c16-11-2-1-3-19-13(11)9-22-4-6-23(7-5-22)14-8-12(15(17)18)20-10-21-14/h1-3,8,10,15H,4-7,9H2
InChIKeyGRVOUHDCTQYKGO-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.27
Rot. Bonds4

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

4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 171995248) has the molecular formula C15H16F3N5 and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID171995248
Molecular FormulaC15H16F3N5
Molecular Weight323.32 g/mol
Exact Mass323.14
IUPAC Name4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1cccnc1CN1CCN(c2cc(C(F)F)ncn2)CC1
InChIInChI=1S/C15H16F3N5/c16-11-2-1-3-19-13(11)9-22-4-6-23(7-5-22)14-8-12(15(17)18)20-10-21-14/h1-3,8,10,15H,4-7,9H2
InChIKeyGRVOUHDCTQYKGO-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995161
4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine
CID 126850021
4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 166601575
1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
CID 126752862
2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]acetamide
CID 171994455
3-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]phenol
CID 166257159
4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 166601340
4-[4-(3-bromophenyl)piperazin-1-yl]-6-(difluoromethyl)pyrimidine
CID 166366810
4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 172880678
2-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 166604960
4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
CID 84591972
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881564

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine (CID 171995248) is 4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine is Fc1cccnc1CN1CCN(c2cc(C(F)F)ncn2)CC1.
What is the InChIKey of 4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is GRVOUHDCTQYKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5/c16-11-2-1-3-19-13(11)9-22-4-6-23(7-5-22)14-8-12(15(17)18)20-10-21-14/h1-3,8,10,15H,4-7,9H2.
What are the key properties of 4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
4-(difluoromethyl)-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 323.32 g/mol, XLogP of 2.27, 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-fluoro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171995248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).