2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine

C14H18F2N6 — CID 146481782

IUPAC2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine
SMILESCc1ncn(-c2ncc(CN3CCNCC3)cn2)c1C(F)F
InChIInChI=1S/C14H18F2N6/c1-10-12(13(15)16)22(9-20-10)14-18-6-11(7-19-14)8-21-4-2-17-3-5-21/h6-7,9,13,17H,2-5,8H2,1H3
InChIKeyGIPJBWIJVNRGCY-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.31
Rot. Bonds4

About 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine

2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine (PubChem CID 146481782) has the molecular formula C14H18F2N6 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine
PubChem CID146481782
Molecular FormulaC14H18F2N6
Molecular Weight308.34 g/mol
Exact Mass308.16
IUPAC Name2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine
SMILESCc1ncn(-c2ncc(CN3CCNCC3)cn2)c1C(F)F
InChIInChI=1S/C14H18F2N6/c1-10-12(13(15)16)22(9-20-10)14-18-6-11(7-19-14)8-21-4-2-17-3-5-21/h6-7,9,13,17H,2-5,8H2,1H3
InChIKeyGIPJBWIJVNRGCY-UHFFFAOYSA-N
XLogP1.31
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine
CID 146481780
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine
CID 178104268
3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile
CID 146481728
3-(difluoromethoxy)-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile
CID 146482055
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 82509495
1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
CID 84805335
3-fluoro-2-methyl-5-(piperazin-1-ylmethyl)aniline
CID 82509599
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84786136
1-[[3-methyl-2-(trifluoromethyl)imidazol-4-yl]methyl]piperazine
CID 82623000
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine?
The IUPAC name of 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine (CID 146481782) is 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine?
The canonical SMILES for 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine is Cc1ncn(-c2ncc(CN3CCNCC3)cn2)c1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine?
The InChIKey is GIPJBWIJVNRGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N6/c1-10-12(13(15)16)22(9-20-10)14-18-6-11(7-19-14)8-21-4-2-17-3-5-21/h6-7,9,13,17H,2-5,8H2,1H3.
What are the key properties of 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine?
2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine has a molecular weight of 308.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 146481782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).