2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine

C15H16ClFN4 — CID 141105926

IUPAC2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
SMILESC[C@@H]1CNCCN1c1cc(-c2ccc(F)cc2)nc(Cl)n1
InChIInChI=1S/C15H16ClFN4/c1-10-9-18-6-7-21(10)14-8-13(19-15(16)20-14)11-2-4-12(17)5-3-11/h2-5,8,10,18H,6-7,9H2,1H3/t10-/m1/s1
InChIKeySAYYOGAABLNPFC-SNVBAGLBSA-N
MW306.77 g/mol
LogP2.73
Rot. Bonds2

About 2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine

2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine (PubChem CID 141105926) has the molecular formula C15H16ClFN4 and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
PubChem CID141105926
Molecular FormulaC15H16ClFN4
Molecular Weight306.77 g/mol
Exact Mass306.10
IUPAC Name2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
SMILESC[C@@H]1CNCCN1c1cc(-c2ccc(F)cc2)nc(Cl)n1
InChIInChI=1S/C15H16ClFN4/c1-10-9-18-6-7-21(10)14-8-13(19-15(16)20-14)11-2-4-12(17)5-3-11/h2-5,8,10,18H,6-7,9H2,1H3/t10-/m1/s1
InChIKeySAYYOGAABLNPFC-SNVBAGLBSA-N
XLogP2.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 66838893
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 59822612
1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 11500220
2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline
CID 150243687
2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
CID 18186773
3-chloro-6-(2-methylpiperazin-1-yl)pyridazine
CID 62673005
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
CID 96905168
(7S)-7-[(2-chloro-5-fluorophenyl)methoxy]-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 11949708
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
CID 145146069
(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
CID 86691143

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine (CID 141105926) is 2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine is C[C@@H]1CNCCN1c1cc(-c2ccc(F)cc2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
The InChIKey is SAYYOGAABLNPFC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClFN4/c1-10-9-18-6-7-21(10)14-8-13(19-15(16)20-14)11-2-4-12(17)5-3-11/h2-5,8,10,18H,6-7,9H2,1H3/t10-/m1/s1.
What are the key properties of 2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine?
2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine has a molecular weight of 306.77 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 141105926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).