4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine

C13H20F2N4 — CID 165438932

IUPAC4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
SMILESCCC(c1nc(C)cc(C(F)F)n1)N1CCNCC1
InChIInChI=1S/C13H20F2N4/c1-3-11(19-6-4-16-5-7-19)13-17-9(2)8-10(18-13)12(14)15/h8,11-12,16H,3-7H2,1-2H3
InChIKeyCJWDECDGDYUEHK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.08
Rot. Bonds4

About 4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine

4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine (PubChem CID 165438932) has the molecular formula C13H20F2N4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
PubChem CID165438932
Molecular FormulaC13H20F2N4
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
SMILESCCC(c1nc(C)cc(C(F)F)n1)N1CCNCC1
InChIInChI=1S/C13H20F2N4/c1-3-11(19-6-4-16-5-7-19)13-17-9(2)8-10(18-13)12(14)15/h8,11-12,16H,3-7H2,1-2H3
InChIKeyCJWDECDGDYUEHK-UHFFFAOYSA-N
XLogP2.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyl-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine
CID 63343042
1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 104632879
1-[(1R)-1-(2,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171292983
1-[(1R)-1-(2,3,5,6-tetrafluorophenyl)propyl]piperazine;hydrochloride
CID 171172241
1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171169950
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1R)-1-(3,4,5-trifluorophenyl)propyl]piperazine;dihydrochloride
CID 171290631
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171277140
1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171289028

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
The IUPAC name of 4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine (CID 165438932) is 4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine is CCC(c1nc(C)cc(C(F)F)n1)N1CCNCC1.
What is the InChIKey of 4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
The InChIKey is CJWDECDGDYUEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4/c1-3-11(19-6-4-16-5-7-19)13-17-9(2)8-10(18-13)12(14)15/h8,11-12,16H,3-7H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine?
4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine has a molecular weight of 270.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methyl-2-(1-piperazin-1-ylpropyl)pyrimidine is sourced from PubChem (CID 165438932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).