4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine

C16H18ClFN4O — CID 94674091

IUPAC4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H18ClFN4O/c1-23-11-13-10-15(17)20-16(19-13)22-8-6-21(7-9-22)14-4-2-12(18)3-5-14/h2-5,10H,6-9,11H2,1H3
InChIKeyVLOIIOOUKCAHNP-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.74
Rot. Bonds4

About 4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine

4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine (PubChem CID 94674091) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is 4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine
PubChem CID94674091
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC Name4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H18ClFN4O/c1-23-11-13-10-15(17)20-16(19-13)22-8-6-21(7-9-22)14-4-2-12(18)3-5-14/h2-5,10H,6-9,11H2,1H3
InChIKeyVLOIIOOUKCAHNP-UHFFFAOYSA-N
XLogP2.74
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine
CID 62319950
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135911475
4-chloro-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 1484532
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 56724718
(2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 84575957
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]azepane
CID 112922347
1-[2-(methoxymethyl)-4-pyridinyl]-4-(4-propan-2-ylphenyl)piperazine
CID 177267322
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319108
4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 163344141
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 73347441
2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine
CID 66423422
2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62318582

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine (CID 94674091) is 4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine?
The InChIKey is VLOIIOOUKCAHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c1-23-11-13-10-15(17)20-16(19-13)22-8-6-21(7-9-22)14-4-2-12(18)3-5-14/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine?
4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine has a molecular weight of 336.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 94674091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).