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

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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).